[ CAS No. 64837-53-2 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 64837-53-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 64837-53-2 ]

SDS Specification

Alternatived Products of [ 64837-53-2 ]

Product Details of [ 64837-53-2 ]

CAS No. :	64837-53-2	MDL No. :	MFCD03093787
Formula :	C₅H₇N₃O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YVKRWIVXIPGKTL-UHFFFAOYSA-N
M.W :	173.19	Pubchem ID :	2756556
Synonyms :

Calculated chemistry of [ 64837-53-2 ] Expand+

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.4
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	40.4
TPSA :	106.34 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.95 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.31
Log Po/w (XLOGP3) :	0.57
Log Po/w (WLOGP) :	0.3
Log Po/w (MLOGP) :	-0.55
Log Po/w (SILICOS-IT) :	1.1
Consensus Log Po/w :	0.55

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.41
Solubility :	6.72 mg/ml ; 0.0388 mol/l
Class :	Very soluble
Log S (Ali) :	-2.38
Solubility :	0.729 mg/ml ; 0.00421 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.04
Solubility :	15.8 mg/ml ; 0.0912 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.76

Safety of [ 64837-53-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 64837-53-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 64837-53-2 ]
Downstream synthetic route of [ 64837-53-2 ]

[ 64837-53-2 ] Synthesis Path-Upstream 1~3

1
[ 79-19-6 ]
[ 4755-77-5 ]
[ 64837-53-2 ]

Yield	Reaction Conditions	Operation in experiment
24%	at 70℃; for 5 h;	Step 1 ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate To a solution of hydrazinecarbothioamide (10 g, 54.8 mmol) in POCI₃ (25 mL) was added ethyl 2-chloro-2-oxacetate (6.1 mL, 54.8 mmol). The reaction was heated to 70°C and stirred for 5 h. POCI₃ was completely removed from the reaction mixture under vacuum. The residue was diluted with ice cold water (150 mL) and basified to pH 8 with saturated sodium bicarbonate solution and then extracted with ethyl acetate (200 mL). The organic layer was separated and dried over a₂S0₄, and the solvent was evaporated to obtain crude product. The crude product was purified by flash chromatography (silica gel 100-200?, 2percent methanol and dichloromethane) to afford ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate as a yellow solid (3.1 g, 24percent yield). ? NMR (400 MHz, DMSO-d₆): ? 7.94 (s, 2H), 4.29 (q, 2H), 1.27 (t, 3H); LC- MS m/z calcd for [M+H]⁺ 174.03, found 174.1.

Reference： [1] Patent: WO2013/49565, 2013, A1, . Location in patent: Page/Page column 68
[2] Annali di Chimica (Rome, Italy), 1959, vol. 49, p. 2124,2131
[3] Patent: WO2007/38865, 2007, A1, . Location in patent: Page/Page column 47

2
[ 79-19-6 ]
[ 64837-53-2 ]

Reference： [1] Journal fuer Praktische Chemie (Leipzig), 1990, vol. 332, # 1, p. 55 - 64

3
[ 1117-63-1 ]
[ 64837-53-2 ]

Reference： [1] Annali di Chimica (Rome, Italy), 1959, vol. 49, p. 2124,2131

[ 64837-53-2 ] Synthesis Path-Downstream 1~12

1
[ 64837-53-2 ]
[ 108-24-7 ]
[ 89854-06-8 ]

Reference： [1]Annali di Chimica,1959,vol. 49,p. 2124,2131
[2]Journal of Pharmacy and Pharmacology,1961,vol. 13,p. 567 - 574

2
[ 64837-53-2 ]
[ 98022-46-9 ]

Reference： [1]Annali di Chimica,1959,vol. 49,p. 2124,2131

3
[ 64837-53-2 ]
[ 99845-53-1 ]

Reference： [1]Annali di Chimica,1959,vol. 49,p. 2124,2131

4
[ 1117-63-1 ]
[ 64837-53-2 ]

Reference： [1]Annali di Chimica,1959,vol. 49,p. 2124,2131

5
[ 64837-53-2 ]
[ 925-90-6 ]
[ 910656-40-5 ]

Yield	Reaction Conditions	Operation in experiment
		Step 2: 3-(5-Amino-1.3.4-thiadiazol-2-yl)pentan-3-olTo a solution of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (0.95 g, 5.5 mmol) in 18 mL of THF at 0° C was added slowly a 3.0M solution of EtMgBr (14.6 mL; 43.9 mmol). The mixture was allowed to warm to rt overnight and quenched with 25percent NH4OAc. The solvent was removed and the residue stirred in ethyl acetate. The solid was filtered and the filtrate concentrated and purified over silica gel (eluting with 8percent MeOH in DCM) to yield the title compound. 1H NMR (400 MHz, acetone- d6): delta 6.39 (br, 2H), 1.9 (q, 4H), 0.89 (t, 6H).

Reference： [1]Patent: WO2007/38865,2007,A1 .Location in patent: Page/Page column 47

6
[ 64837-53-2 ]
[ 1030613-07-0 ]

Yield	Reaction Conditions	Operation in experiment
87.4%	With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20 - 60℃; for 1.33333h;	To a stirred solution of compound 59 (21 g, 121.38 mmol) in ACN (400 mL), CuBr2 (53.3 g, 239.01 mmol) was added and stirred at room temperature for 15 min. To this solution, tert- butyl nitrite (24.65 g, 239.04 mmol) was added drop wise over a period of 20 min. The resulting reaction mixture was stirred at room temperature for 30 min. and then heated at 60 C for 30 min. The progress of the reaction was monitored by TLC. After completion, the reaction mixture was diluted with water; ethyl acetate and filtered through Celite bed. The organic layer was separated; washed with brine; dried over anhydrous sodium sulfate, filtered and concentrated in vacuo to afford the title compound 60 (25 g, 87.40percent) as a yellow solid. TLC: 20percent EtOAc/hexane (Rf: 0.7); 1H NMR (400 MHz, DMSO-d6): delta 4.45-4.40 (m, 2H), 1.34 (t, J= 6.8 Hz, 3H).
82%	With hydrogen bromide; copper(I) bromide; sodium nitrite; In water; at 3 - 20℃; for 2.75h;	A 500 mL (three neck) round-bottom flask with a stir bar, needle inlet, and a gas outlet to a trap containing a 10percent solution of Na2S203 was charged with CuBr (1.24g, 8.67 mmol, 0.1 equiv.) and HBr (48percent aqueous solution, 108 mL). The purple solution was cooled to 3°C (internal, ice bath), to which was added portion- wise a solid mixture of 5-amino-[l,3,4]thiadiazole-2-carboxylic acid ethyl ester (15.0 g, 86.6 mmol) and sodium nitrite (27.0 g, 391.3 mmol, 4.5 equiv.) over the course of 30 min. The reaction mixture was allowed to warm to room temperature for 2 h 15 min. The reaction mixture was diluted with CH2C12 and 10percent aqueous Na2S203 and the layers were separated. The aqueous layer was extracted 3 times with CH2C12. The combined organic layers were washed with Brine, dried over MgS04, and concentrated. The crude product was purified by column chromatography (ISCO XL, 330g Si02 column, 20-25percent EtOAc/Hexanes) to provide an off-white solid that was triturated with 5percent EtOAc/Hexanes. Filtration provided 5-bromo-[l ,3,4]thiadiazole-2-carboxylic acid ethyl ester (14.5 g, 71percent) as white needles. Concentration and trituration of the mother liquor provided an additional product (2.3 g, 11percent).
79%		Step l:5-Bromo-[l,3,4]thiadiazole-2-carboxylic acid ethyl ester (3_39_2) [00332] CuBr2 (18.06 g, 80.1 mmol) was added to a suspension of 5-amino- [l,3,4]thiadiazole-2-carboxylic acid ethyl ester 3_39_1 (7 g, 40.5 mmol) in 150 mL of acetonitrile, the mixture was stirred for 15 min, t-BuONO (9.6 mL, 80.1 mmol) was added over 20 min., and the mixture was heated at 60°C for 0.5 h. Water and ethyl acetate were added, the mixture was stirred until the dark color disappeared and filtered through celite, and the organic layer was washed with brine, dried over Na2S04, filtrated and concentrated to give compound 3_39_2 (7.56 g, 79 percent yield) as a yellow solid. [00333] NMR (400 MHz, DMSO-d6): delta = 1.32 (t, J = 7.14 Hz, 3 H), 4.41 (q, J = 7.30 Hz, 2 H);

74%	With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20 - 60℃; for 0.666667h;	Step 2: ethyl 5-bromo-l,3,4-thiadiazole-2-carboxylate ter-BuONOTo a stirred solution of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (3.1 g, 17.8 mmol) in acetonitrile (50 mL) at room temperature was added copper (II) bromide (7.95 g, 35.6 mmol) and the mixture was stirred for 20 min. Tertiary butyl nitrite (3.67 g, 35.63 mmol) was then added drop wise for 10 min, and the reaction mixture was heated to 60°C for 30 min. The reaction mixture was concentrated under reduced pressure, diluted with water (300 mL), and then extracted with ethyl acetate (500 m:). The organic layer was separated and dried over anhydrous sodium sulphate, and evaporated to afford ethyl 5-bromo-l,3,4-thiadiazole-2-carboxylate as a brown solid (3.0 g, 74percent yield). XH NMR (400 MHz, CDC13): ? 4.53-4.51 (m, 2H), 1.45-1.43 (m, 3H); LC-MS m/z calcd for [M+H]+ 238.92, found 238.9.
	With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20 - 60℃; for 1.08333h;	Step 1: Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate To a suspension of <strong>[64837-53-2]ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate</strong> (10 g, 58 mmol) in CH3CN (180 mL) was added CuBr2 (25.7 g, 115 mmol). The mixture turned dark green and was further stirred for 15 min at room temperature. t-BuONO, 90percent (13.8 mL, 115 mmol) was added dropwise over 15-20 min. The mixture became slightly warm and gas was evolved after 5 min and then throughout the addition. After completion of the addition and gas evolution subsided, the mixture was heated at 60° C. for 30 min. Solvent was then evaporated in vacuo. Water and EtOAc were added and the mixture was agitated in the flask until the dark green color disappeared. The organic phase became light brown and the aqueous was green with insoluble material. The whole mixture was filtered through celite and washed with EtOAc. The EtOAc layer was separated, washed with dilute brine solution, dried (Na2SO4) and concentrated to give the title compound. 1H NMR (400 MHz, acetone-d6): delta4.52 (q, 2H), 1.43 (t, 3H).
		To a suspension of ethyl 5-amino-l,3,4- thiadiazole-2-carboxylate in CH3CN (0.32 M) was added CuBr2 (2 equiv). The mixture turned dark green and was stirred for 15 min at room temperature. t-BuONO, 90percent (2 equiv) was added dropwise over 15 - 20 min. The mixture became slightly warm and gas evolved after about 5 min and then throughout the addition. After completion of the addition and after gas evolution subsided, the mixture was heated at 60 °C for 30 min. Solvent was then evaporated in vacuo. Water and EtOAc were added and the mixture was stirred until the dark green color disappeared. The organic phase became light brown and the aqueous phase was green with insoluble material. The entire mixture was filtered through Celite.(TM). and washed with EtOAc. The EtOAc layer was separated, washed with diluted brine, dried (Na2SO4) and concentrated to give the title compound. lH NMR (400 MHz, acetone-^): delta 4.52 (q, 2H), 1.43 (t, 3H).
		To a suspension of ethyl 5-amino- l,3,4-thiadiazole-2-carboxylate in CH3CN (0.32 M) was added CuBr2 (2 equiv). The mixture turned dark green and was stirred for 15 min at room temperature. Then /-BuONO (2 equiv, 90percent) was added dropwise over 15 - 20 min. The mixture became slightly warm and gas evolved after about 5 min and then throughout the addition. After completion of the addition and after gas evolution subsided, the mixture was heated at 60 °C for 30 min. Solvent was then evaporated in vacuo. Water and EtOAc were added and the mixture was stirred until the dark green color disappeared. The mixture was filtered through Celite.(TM). and washed with EtOAc. The EtOAc layer was separated, washed with diluted brine, dried (Na2SO4) and concentrated to give the title compound. lH NMR (400 MHz, acetone-t/6): delta 4.52 (q, 2H), 1.43 (t, 3H).
		Step 1 Ethyl 5-bromo-l ,3,4-thiadiazole-2-carboxylateTo a suspension of ethyl 5-ammo-l ,3,4-thiadiazole-2-carboxylate in CH3CN (0 32 M) was added CuBr2 (2 equiv) The mixture turned dark green and was stirred for 15 mm at room temperature ^-BuONO, 90percent (2 equiv) was added dropwise over 15 - 20 mm The mixture became slightly warm and gas was evolved after about 5 min and then throughout the addition After completion of the addition and gas evolution subsided, the mixture was heated at 60 0C for 30 mm Solvent was then evaporated under diminished pressure Water and EtOAc were added and the mixture was stirred until the dark green color disappeared The organic phase became light brown and the aqueous phase was green with insoluble material The entire mixture was filtered through celite and washed with EtOAc The EtOAc layer was separated, washed with diluted bpine, dpied (Na2SO4) and concentrated to give the title compound lH NMR (400 MHz, acetone-d) delta 4 52 (q, 2H), 1 43 (t, 3H)

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 5082 - 5096
[2]Patent: WO2018/160878,2018,A1 .Location in patent: Page/Page column 219
[3]Patent: WO2011/146817,2011,A1 .Location in patent: Page/Page column 57-58
[4]Patent: WO2013/110643,2013,A1 .Location in patent: Paragraph 00332; 00333
[5]Patent: WO2013/49565,2013,A1 .Location in patent: Page/Page column 69
[6]Patent: US2008/132542,2008,A1 .Location in patent: Page/Page column 20
[7]Patent: WO2010/94120,2010,A1 .Location in patent: Page/Page column 61
[8]Patent: WO2011/11872,2011,A1 .Location in patent: Page/Page column 48
[9]Patent: WO2008/128335,2008,A1 .Location in patent: Page/Page column 41

7
[ 304690-95-7 ]
[ 64837-53-2 ]
C₁₆H₁₇F₃N₆O₄S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		In 84 g of acetic acid, 72 g of phosphoric acid, and 28 g of sulfuric acid was dissolved 12.2 g of 2-amino-5-ethoxycarbonyl-1,3,4-thiadiazole (structural formula 1a). This solution was cooled to 5°C or lower. Thereto was added dropwise 22 g of 43percent nitrosylsulfuric acid. Thus, a solution of a diazo compound of 2-amino-5-ethoxycarbonyl-1,3,4-thiadiazole was prepared. Subsequently, the diazo compound solution obtained above was added dropwise to a solution composed of 8.6 g of the compound represented by the following structural formula 1b and 172 mL of methanol under the conditions of 5°C or lower, and the resultant mixture was stirred for 2 hours. This mixture was then neutralized with 28percent ammonia water. Thereafter, the crystals precipitated were taken out by filtration and purified to obtain 20 g of the azo compound represented by the following structural formula 1c.

Reference： [1]Patent: EP2070989,2009,A1 .Location in patent: Page/Page column 40-41

8
[ 64837-53-2 ]
[ 124-40-3 ]
[ 76-05-1 ]
5-amino-N,N-dimethyl-1,3,4-thiadiazole-2-carboxamide trifluoroacetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
15%		To a suspension of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (200 mg, 1.155 mmol) in EtOH (3 mL) was added dimethylamine (1 mL, 7.90 mmol). The mixture was stirred at 90 0C for 2 h and concentrated. The residue was purified by reverse phase HPLC, using Sunfire SlO 30x250 mm column and eluting with 0-40percent solvent B (90percent MeOH-10percent H2O-0.1percent TFA) in solvent A (10percent MeOH-90percent H2O- 0.1percent TFA) to provide the expected product as TFA salt (50 mg, 15percent yield). MS (ES+) m/z: 173 (M+H); LC retention time: 0.66 min (analytical HPLC Method A).

Reference： [1]Patent: WO2009/100171,2009,A1 .Location in patent: Page/Page column 106

9
[ 64837-53-2 ]
[ 765-30-0 ]
[ 1177423-41-4 ]

Yield	Reaction Conditions	Operation in experiment
72%	In methanol; at 20 - 70℃; for 6.83h;	To a suspension of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (2 g, 11.55 mmol) in methanol (15 mL) was added cyclopropylamine (1.5 mL, 21.65 mmol). The mixture was stirred at room temperature for 1 h and at 40 0C for 1.5 h. Additional cyclopropylamine (2 mL) was added. After 3 h at 40 0C, 1 h at 50 0C and 20 min at 70 0C, the mixture was concentrated to half the volume, diluted with water (2.5 mL), heated to boil to give a clear solution and cooled to room temperature. The solid was filtered, washed with cold methanol, and dried to give 5-amino-N- cyclopropyl-l,3,4-thiadiazole-2-carboxamide as yellow crystals (1.52 g, 72 percent yield). MS (ES+) m/z: 185 (M+H); LC retention time: 0.87 min (analytical HPLC Method A).

Reference： [1]Patent: WO2009/100171,2009,A1 .Location in patent: Page/Page column 81
[2]Journal of Medicinal Chemistry,2015,vol. 58,p. 4278 - 4290

10
[ 64837-53-2 ]
[ 74-89-5 ]
[ 1177423-60-7 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; ethanol; at 20 - 70℃;	To a suspension of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (106 mg, 0.612 mmol) in methanol (1.5 mL) was added 33 wt percent ethanol solution of <n="108"/>methylamine (0.5 mL, 4.00 mmol). The mixture was stirred at room temperature for 6 h, heated to 70 0C and cooled. The mixture was concentrated, mixed with water and lyophilized to give 5-amino-N-methyl-l,3,4-thiadiazole-2-carboxamide as a white solid (99 mg). 1H NMR (400 MHz, DMSO-d6) delta ppm 8.69 (q, J=4.8 Hz, 1 H), 7.70 (s, 2 H) 2.73 (d, J=4.78 Hz, 3 H); MS (ES+) m/z: 159 (M+H); LC retention time: 0.44 min (analytical HPLC Method A).

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 4278 - 4290
[2]Patent: WO2009/100171,2009,A1 .Location in patent: Page/Page column 105-106

11
[ 64837-53-2 ]
[ 75-04-7 ]
[ 1177423-62-9 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; water; at 20℃;	To a suspension of ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (200 mg, 1.155 mmol) in methanol (1.5 mL) was added a 70percent aqueous solution of ethylamine (0.5 mL, 6.29 mmol). The mixture was stirred at room temperature overnight, concentrated, mixed with water and lyophilized to give 5-amino-N-ethyl- l,3,4-thiadiazole-2-carboxamide as a yellowish solid (200 mg). MS (ES+) m/z: 173 (M+H); LC retention time: 0.70 min (analytical HPLC Method A).

Reference： [1]Patent: WO2009/100171,2009,A1 .Location in patent: Page/Page column 106

12
[ 64837-53-2 ]
[ 52499-14-6 ]
[ 1191951-63-9 ]

Yield	Reaction Conditions	Operation in experiment
78%	With pyridine; at 20 - 95℃; for 48.25h;	General procedure: A suspension of ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate29 (2.0 g, 11.2 mmol) in pyridine (50 mL) was stirred and cooled in an ice bath while p-dodecylbenzenesulfonyl chloride (4.7 g, 13.5 mmol) was added slowly. The mixture was stirred at rt for 48 h, then heated in an oil bath at 90 °C for 15 min. The reaction mixture was then cooled to rt, poured into aqueous 10percent HCl, and extracted with EtOAc (3 .x. 75 mL). The combined extracts were washed with water (2 .x. 50 mL), brine (2 .x. 50 mL), dried over anhydrous Na2SO4, filtered, and concentrated in vacuo. The residue was subjected to chromatography on silica gel (70-230 mesh) eluted with CH2Cl2/MeOH 95:5 to give the product 37 (2.9 g, 5.9 mmol, 53percent)
34%	With pyridine; at 20℃; for 4.5h;	To a solution of /?-dodecylbenzenesulfonyl chloride (260 mg, 0.75 mmol) in pyridine (3 mL) was added ethyl 5-amino-l,3,4-thiadiazole-2-carboxylate (100 mg, 0.58 mmol). The reaction mixture was stirred at room temperature for 4.5 h, then 2 M HCl was added to quench the reaction. The mixture was extracted with ethyl acetate (3 x 40 mL). The organic extracts were washed with water (20 mL), brine (20 mL), dried over Na2SO4, filtered, and concentrated. The residue was purified by chromatography over silica gel (70-230 mesh) eluted with CH2Cl2 methanol 49:1 to give the product as a solid, mp 96-97 0C, in 34percent yield (95 mg, 0.20 mmol); 1H NMR (300 MHz, CDCl3) delta 0.85 (t, 3H, J = 6.6 Hz), 1.20-1.35 (m, <n="90"/>21H), 1.57 (m, 2H), 2.60 (t, 2H, J = 7.0 Hz), 4.43 (q, 2H, J = 7.2 Hz), 7.26 (d, 2H, J = 8.0 Hz), 7.77 (d, 2H, J = 7.7 Hz); 13C NMR (300 MHz, CDCl3) delta 14.1, 22.7, 29.3, 29.4, 29.6, 29.6, 31.1, 31.9, 35.9, 63.4, 126.6, 128.9, 136.9, 145.8, 159.9, 163.7, 167.9; MS (LCQ, ESI+) Calcd for C23H36N3O4S2 482.2, found 482.1 (M+H)+; HRMS (ESI+, m/z) Calcd for C23H36N3O4S2 482.2140, found 482.2134 (M+H)+.

Reference： [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 2046 - 2054
[2]Patent: WO2009/129267,2009,A2 .Location in patent: Page/Page column 88-89

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Technical Information

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 64837-53-2 ] {[proInfo.proName]}

Quality Control of [ 64837-53-2 ]

Related Doc. of [ 64837-53-2 ]

Product Details of [ 64837-53-2 ]

Calculated chemistry of [ 64837-53-2 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 64837-53-2 ]

Application In Synthesis of [ 64837-53-2 ]

[ 64837-53-2 ] Synthesis Path-Upstream 1~3

[ 64837-53-2 ] Synthesis Path-Downstream 1~12

Technical Information

Related Functional Groups of [ 64837-53-2 ]

Esters

Amines

Related Parent Nucleus of [ 64837-53-2 ]

Thiadiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 64837-53-2 ]

Related Parent Nucleus of
[ 64837-53-2 ]