天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 402-23-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 402-23-3
Chemical Structure| 402-23-3
Structure of 402-23-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 402-23-3 ]

Related Doc. of [ 402-23-3 ]

Alternatived Products of [ 402-23-3 ]
Product Citations

Product Citations

Dube, Phelelisiwe S. ; Angula, Klaudia T. ; Legoabe, Lesetja J. , et al. DOI: PubMed ID:

Abstract: Herein, we describe 39 novel quinolone compounds bearing a hydrophilic amine chain and varied substituted benzyloxy units. These compounds demonstrate broad-spectrum activities against acid-fast bacterium, Gram-pos. and -neg. bacteria, fungi, and leishmania parasite. Compound 30 maintained antitubercular activity against moxifloxacin-, isoniazid-, and rifampicin-resistant Mycobacterium tuberculosis, while 37 exhibited low micromolar activities (<1 μg/mL) against World Health Organization (WHO) critical pathogens: Cryptococcus neoformans, Acinetobacter baumannii, and Pseudomonas aeruginosa. Compounds in this study are metabolically robust, demonstrating % remnant of >98% after 30 min in the presence of human, rat, and mouse liver microsomes. Several compounds thus reported here are promising leads for the treatment of diseases caused by infectious agents.

Purchased from AmBeed: ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;

Product Details of [ 402-23-3 ]

CAS No. :402-23-3 MDL No. :MFCD00000395
Formula : C8H6BrF3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MYYYZNVAUZVXBO-UHFFFAOYSA-N
M.W : 239.03 Pubchem ID :123061
Synonyms :

Calculated chemistry of [ 402-23-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.28
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.32
Log Po/w (XLOGP3) : 3.68
Log Po/w (WLOGP) : 4.6
Log Po/w (MLOGP) : 4.12
Log Po/w (SILICOS-IT) : 3.83
Consensus Log Po/w : 3.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.88
Solubility : 0.0316 mg/ml ; 0.000132 mol/l
Class : Soluble
Log S (Ali) : -3.37
Solubility : 0.102 mg/ml ; 0.000427 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.55
Solubility : 0.00678 mg/ml ; 0.0000284 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.87

Safety of [ 402-23-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405 UN#:3265
Hazard Statements:H314-H290-H227 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 402-23-3 ]

* 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.

  • Downstream synthetic route of [ 402-23-3 ]

[ 402-23-3 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 93247-78-0 ]
  • [ 402-23-3 ]
  • [ 955039-52-8 ]
YieldReaction ConditionsOperation in experiment
With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20℃; for 0.5h; Step 1 : methyl l-[3-(trifluoromethyl)benzyl]-lH-indole-7-carboxylate; Methyl lH-indole-7-carboxylate (Ig, 5.71mmol) and l-(bromomethyl)-3-(trifluoromethyl)benzene (956ul, 6.28mmol) were dissolved in DMF (16ml), in an ice bath. 60percent w/w NaH (251mg, 6.28mmol) was added portionwise. The ice bath was removed and the mixture stirred at RT for 30min. The reaction mixture was quenched with NH4Cl(SaL) and <n="24"/>extracted 3 times with ether. The organic layers were combined, washed with water and brine. The compound was purified by flash chromatography on silica gel. IH NMR (500 MHz, DMSO- d6): delta 7.40 (d, IH), 7.25 (s, IH), 7.10 (m, IH), 7.00 (m, 2H), 6.75 (s, IH), 6.65 (t, IH), 6.50 (d, IH), 6.25 (s, IH), 5.25 (s, 2H), 2.05 (d, 3H).
  • 2
  • [ 5932-27-4 ]
  • [ 402-23-3 ]
  • C14H13F3N2O2 [ No CAS ]
  • 3
  • [ 402-23-3 ]
  • [ 137215-27-1 ]
  • [ 1362585-98-5 ]
YieldReaction ConditionsOperation in experiment
85.96% With potassium carbonate; In acetone; at 20℃; General procedure: A mixture of 44 (300 mg, 1.56 mmol), K2CO3 (372 mg, 2.34 mmol), and halogenated compound (1 equiv) in acetone (10 mL) was stirred for 0.5-3.5 h at rt. After filtering the mixture and removing the solvent in vacuo, the residue was purified by column chromatography (eluent: hexane/EtOAc 85:15) to obtain the target compounds (11-23) as white solids.
  • 4
  • [ 57473-33-3 ]
  • [ 402-23-3 ]
  • [ 1366126-76-2 ]
  • 5
  • [ 313535-84-1 ]
  • [ 402-23-3 ]
  • [ 1372890-02-2 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; Example 11N-hydroxy-4-oxo-3-[3-(trifluoromethyl)benzyl]-3,4-dihydroquinazoline-7-carboxamide; Compound I-16 Step 1: methyl 4-oxo-3-[3-(trifluoromethyl)benzyl]-3,4-dihydroquinazoline-7-carboxylateTo a solution of <strong>[313535-84-1]methyl 4-oxo-3,4-dihydroquinazoline-7-carboxylate</strong> (0.100 g, 0.49 mmol) in DMF (5 mL) was added potassium carbonate (0.135 g, 0.98 mmol) and 3-(trifluoromethyl)benzyl bromide (0.11 mL, 0.74 mmol). The reaction mixture was heated to 60 C. and stirred overnight. The mixture was then cooled to rt and concentrated. Water was added and the reaction mixture was extracted with DCM (15 mL, 3×). The combined organic phases were then washed with water, and brine, dried over anhydrous Na2SO4, filtered and concentrated to afford methyl 4-oxo-3-[3-(trifluoromethyl)benzyl]-3,4-dihydroquinazoline-7-carboxylate. LC-MS: (FA) ES+363..
  • 6
  • [ 1303587-99-6 ]
  • [ 402-23-3 ]
  • 2-chloro-8-(3-(trifluoromethyl)benzyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0℃; for 1h;Inert atmosphere; Synthesis of2-chloro-8-(3-(trifluoromethyl) benzyl)-7, 8-dihydro-6H-pyrimido [5, 4-b] [I, 4] oxazine [0460] To a stirred solution of 2-chloro-7, 8-dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (100 mg, 0.58 mmol) in DMF (2 mL) under argon atmosphere were added sodium hydride (28 mg, 1.16 mmol) and l-(bromomethyl)-3-(trifluoromethyl) benzene (167 mg, 0.69 mmol) at 0 C. The reaction mixture was stirred for 30 min at 0 C. After consumption of the starting materials (monitored by TLC), the reaction was quenched with cold water (20 mL) and extracted with EtOAc (2 x 20 mL). The combined organic extracts were washed with brine (5 mL), dried over sodium sulfate, filtered and concentrated in vacuo. The crude material was washed with n-pentane (2 x 5 mL) to afford 2-chloro-8-(3-(trifluoromethyl) benzyl)-7, 8- dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (150 mg, 78%) as an off-white solid. 1H-NMR (DMSO-< 5, 400 MHz): delta 7.74-7.45 (m, 3H), 7.61-7.59 (m, 2H), 4.85 (s, 2H), 4.20-4.18 (m, 2H), 3.56-3.51 (m, 2H); LCMS: 329.8 (M+l); (column; X-Select CSH C-18 (50 3.0 mm, 3.5 mupiiota); RT 3.86 min 0.05% Aq TFA: ACN; 0.80 mL/min); UPLC (purity): 93.1%; (column; Acquity UPLC BEH C-18 2.1 X 50 mm, 1.7 mupiiota); RT 2.57 min. ACN: 0.025% Aq TFA; 0.5 mL/min; TLC: 30% EtOAc/hexane (R/. 0.4).
  • 7
  • [ 185613-91-6 ]
  • [ 402-23-3 ]
  • 4-(benzo[d][1,3]dioxol-5-yl)-N-(3-(trifluoromethyl)benzyl)thiazole-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
17.2% 4-(Benzo[d] [1,3]dioxol-5-yl)thiazol-2-amine(2) (1.00 g, 4.54 mmol) and NaH (0.164 g, 6.82 mmol) to THF (15 ml) todissolved and then allowed to react at room temperature for 1 hour under a nitrogen stream. Then slowly added dropwise atroom temperature 3a(trifluoromethyl) benzyl bromide (1.63 g, 6.82 mmol) and allowed to react for 10 minutes. After thereaction was finished, it was concentrated under reduced pressure and extracted three times into a saturated solution ofNaHCO3 is dissolved in ethyl acetate. The ethyl acetate layer was separated and dried with anhydrous Na2SO4, then purifiedby column chromatography (Ethyl acetate: Hexane = 1: 5) to give the compound 1c to give. Yield 17.2%
17% General procedure: A solution of <strong>[185613-91-6]4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine</strong> (1.0 equiv) and NaH (1.5 equiv) in THF was stirred at room temperature. After 1 h, benzyl bromide (1.5 equiv) was added and stirring was continued for 10 more min. The reaction progress was monitored by TLC. After completion of the reaction, quenched with saturated NH4Cl solution and extracted with EtOAc, the organic layer was dried over MgSO4, filtered, concentrated invacuo. The residue was purified by silica gel column chromatography (16% EtOAc/hexanes) to afford desired product.
  • 8
  • [ 617-05-0 ]
  • [ 402-23-3 ]
  • ethyl 3-methoxy-4-((3-(trifluoromethyl)benzyl)oxy)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% With potassium carbonate; In acetonitrile;Inert atmosphere; Reflux; Synthesis of ethyl 3-methoxy-4-((3-(trifluoromethyl)benzyl)oxy)benzoate: Into a round bottomed flask equipped with a nitrogen inlet and a magnetic stir bar, potassium carbonate (1.86 g, 13.46 mmol), <strong>[617-05-0]ethyl 4-hydroxy-3-methoxybenzoate</strong> (1.2 g, 6.12 mmol) and CH3CN (26 mL) was added. The mixture was stirred for 30 minutes before 1 -(bromomethyl)- 3-(trifluoromethyl)benzene (1.59 g, 6.65 mmol) was added. The mixture was then stirred at reflux temperature overnight. The reaction mixture was rotary evaporated. Water (100 mL) was then added to the residue and the aqueous was then extracted with EtOAc ( 3 x 50 mL). The combined organic layers were evaporated and then dried in vacuo yielding 2.08 g (96 %) of ethyl 3-methoxy-4-((3-(trifluoromethyl)benzyl)oxy)benzoate as beige solid. 1H NMR (400 MHz, Chloroform-d) delta 7.69 (s, 1H), 7.63 (d, J= 2.0 Hz, 1H), 7.60 (d, J= 2.0 Hz, 1H), 7.57 (d, J= 2.0 Hz, 1H), 7.56 (s, 1H), 7.48 (t, J= 7.7 Hz, 1H), 6.87 (d, J= 8.4 Hz, 1H), 5.22 (s, 2H), 4.34 (q, J= 7.1 Hz, 2H), 3.93 (s, 3H), 1.36 (t, J= 7.1 Hz, 3H). HPLC-MS: Expected: 355 (MH+); Found: 355.
96% In a round bottomed flask equipped with a nitrogen inlet and a magnetic stir bar, potassium carbonate (1.86 g, 13.46 mmol), <strong>[617-05-0]ethyl 4-hydroxy-3-methoxybenzoate</strong> (1.2 g, 6.12 mmol) and CH3CN (26 mL) were added. The mixture was stirred for 30 minutes before 1- (bromomethyl)-3-(trifluoromethyl)benzene (1.59 g, 6.65 mmol) was added. The mixture was then stirred at reflux temperature overnight. The reaction mixture was rotary evaporated. Water (100 mL) was then added to the residue and the aqueous was then extracted with EtOAc (3 x 50 mL). The combined organic layers were evaporated and then dried in vacuo yielding 2.08 g (96 %) of ethyl 3-methoxy-4-((3-(trifluoromethyl)benzyl)oxy)benzoate as product. (0368) 1H NMR (400 MHz, Chloroform-d) delta 7.69 (s, 1H), 7.63 (d, J = 2.0 Hz, 1H), 7.60 (d, J = 2.0 Hz, 1H), 7.57 (d, J = 2.0 Hz, 1H), 7.56 (s, 1H), 7.48 (t, J = 7.7 Hz, 1H), 6.87 (d, J = 8.4 Hz, 1H), 5.22 (s, 2H), 4.34 (q, J = 7.1 Hz, 2H), 3.93 (s, 3H), 1.36 (t, J = 7.1 Hz, 3H). (0369) HPLC-MS: Expected: 355 (MH+); Found: 355.
  • 9
  • [ 402-23-3 ]
  • [ 56844-40-7 ]
  • 6-bromo-3-(3-(trifluoromethyl)benzyl)thieno[2,3-d]pyrimidin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 12.0h; General procedure: To a stirred solution of intermediate 6 (100 mg, 0.433 mmol) in DMF was added K2CO3 (179 mg, 1.299 mmol) and 3-fluorobenzyl bromide (54 muL, 0.433 mmol) at RT. After stirring for 12 h, the reaction mixture was concentrated to dryness under vacuum and the residue was extracted with CH2Cl2 and water. The organic layer was washed with brine and dried over MgSO4. Then the solution was concentrated to dryness under vacuum and puried via a ash chromatography silica gel plate (petroleum ether/ethyl acetate, 3/1) to afford title compound as a pale yellow solid in 43% yield.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;