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. 193966-70-0 ] {[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| 193966-70-0
Chemical Structure| 193966-70-0
Structure of 193966-70-0 * 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 [ 193966-70-0 ]

Related Doc. of [ 193966-70-0 ]

Alternatived Products of [ 193966-70-0 ]
Product Citations

Product Details of [ 193966-70-0 ]

CAS No. :193966-70-0 MDL No. :MFCD16036651
Formula : C7H7BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :OIGRHUBIDWZLHR-UHFFFAOYSA-N
M.W : 231.05 Pubchem ID :21973569
Synonyms :

Calculated chemistry of [ 193966-70-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.15
TPSA : 52.08 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.86
Log Po/w (XLOGP3) : 0.36
Log Po/w (WLOGP) : 1.01
Log Po/w (MLOGP) : -0.03
Log Po/w (SILICOS-IT) : 1.71
Consensus Log Po/w : 0.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.67
Solubility : 4.93 mg/ml ; 0.0213 mol/l
Class : Very soluble
Log S (Ali) : -1.02
Solubility : 22.1 mg/ml ; 0.0958 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.99
Solubility : 0.235 mg/ml ; 0.00102 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.22

Safety of [ 193966-70-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 UN#:1759
Hazard Statements:H302-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 193966-70-0 ]

* 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 [ 193966-70-0 ]

[ 193966-70-0 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 41110-33-2 ]
  • [ 193966-70-0 ]
  • [ 866327-72-2 ]
  • 2
  • [ 193966-70-0 ]
  • [ 782434-80-4 ]
YieldReaction ConditionsOperation in experiment
37% With potassium trimethylsilonate; In tetrahydrofuran; at 70℃; for 0.75h; [0139j To a solution of <strong>[193966-70-0]methyl 5-(bromomethyl)pyrazine-2-carboxylate</strong> (0.5 g, 2.16 mmol) in tetrahydrofuran (20 mL) was added potassium trimethylsilanolate (0.11 g, 0.80 mmol) and the reaction mixture was stirred at 70 C for 45 minutes. The reaction mixture was diluted with water (30 mL), acidified with 1.5 M hydrochloric acid (pH 2-3) and extracted with ethyl acetate (50 mL x 3). The combined organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under vacuum. The crude was purified by silica gel column chromatography using 3% methanol in dichloromethane as eluant, to afford the title compound 5-(bromomethyl)pyrazine-2-carboxylic acid (0.174 g, 37% yield) as a yellow solid. Calculated M+H: 218.02; Found M+H: 218.1.
  • 3
  • [ 5521-55-1 ]
  • [ 193966-70-0 ]
  • 4
  • [ 193966-70-0 ]
  • 5-cyclopropylaminomethyl-pyrazine-2-carboxylic acid [ No CAS ]
  • 5
  • [ 193966-70-0 ]
  • [ 221323-64-4 ]
  • 6
  • [ 193966-70-0 ]
  • (3R,3aR,6aS)-4-(5-Bromomethyl-pyrazine-2-carbonyl)-3-isopropyl-1-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one [ No CAS ]
  • 7
  • [ 193966-70-0 ]
  • (3R,3aR,6aS)-4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3-isopropyl-1-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one [ No CAS ]
  • 8
  • [ 193966-70-0 ]
  • [ 221323-65-5 ]
  • 9
  • [ 193966-70-0 ]
  • GW447631 [ No CAS ]
  • 10
  • [ 41110-33-2 ]
  • [ 193966-70-0 ]
YieldReaction ConditionsOperation in experiment
46% With bromine; acetic acid; at 80℃; for 1h; [0115j To a solution of methyl 5-methylpyrazine-2-carboxylate (0.5 g, 3.28 mmol) in acetic acid (5 ml) was added bromine (0.i9 ml, 3.6i mmol) at room temperature. The reaction mixture was heated at 80C for 45 mm. The reaction mixture was concentrated to remove acetic acid. The residue was basified with saturated sodium bicarbonate solution and extracted with ethyl acetate. The organic layer was dried and concentrated. The crude was purified by silica gel column chromatography using 20% ethyl acetate in hexane to afford the title compound methyl 5-(bromomethyl)pyrazine-2-carboxylate (0.3 g, 40%) as a brownish liquid. Calculated M+H: 230.97; Found M+H: 231.0.
32.9% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 10h;Reflux; A mixture of methyl 5-methylpyrazine-2-carboxylate (3.000 g, 19.7 17 mmol),1 -bromopyrrolidine-2,5-dione (NB S, 3.685 g, 20.703 mmol) and Azobisisobutyronitrile (AIBN, 1.295 g, 7.887 mmol) in carbon tetrachioride (20 mL) prepared at theroom temperature was heated at reflux for 10 hr, and cooled down to the ambient temperature. Then, water was added to the reaction mixture, followed by extraction withethyl acetate. The organic layer was washed with aqueous saturated sodium chloridesolution, dried with anhydrous MgSO4, filtered, and concentrated in vacuo. The residuewas chromatographed (Si02, 40 g cartridge; ethyl acetate / hexane = 0 % to 15 %) togive methyl 5-(bromomethyl)pyrazine-2-carboxylate as gray solid (1.500 g, 32.9 %).
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 70℃; for 20h; Synthesis Example 13-2: Synthesis of 5-bromomethyl-2-methoxy carbonyl pyrazine (Compound IV-3) 500 mg of the compound obtained in Synthesis Example 13-1 was dissolved in 10 ml of carbon tetrachloride, and then 585 mg of N-bromosuccinimide and 54 mg of azobisisobutyronitrile were added to the solution. After the solution was stirred in oil bath for 20 hours at 70C, the reaction solution was filtrated, and then the filtrate was then concentrated. The resulting residue was purified by means of silica gel column chromatography (14 g, chloroform/ethyl acetate= 2/1), and 328.7mg of the above-mentioned compound was obtained as light-yellow syrup. MS(EI,Pos.):m/z=229,231[M+1]+ 1H-NMR(500MHz,DMSO-d6): delta=4.06 (3H,s), 4.62 (2H,s), 8.83 (1H,d,J=1. 5Hz), 9.26 (1H,d,J=1.5Hz).
  • 11
  • [ 123-75-1 ]
  • [ 121-44-8 ]
  • [ 193966-70-0 ]
  • methyl 5-[(1-Pyrrolidinyl)methyl]pyrazine-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% In ethyl acetate; Part B. Methyl 5-[(1-Pyrrolidinyl)methyl]pyrazine-2-carboxylate. STR471 By essentially following the procedure used to prepare Example 137, Part B, the title compound was prepared from <strong>[193966-70-0]methyl 5-(bromomethyl)pyrazine-2-carboxylate</strong> (Part A) and pyrrolidine in 85% yield as a pale yellow oil. The mixture was subjected to flash chromatography on silica gel, eluding with a gradient of EtOAc(100-95%)/Et3 N(0-5%). 1 H NMR (CDCl3) delta 9.23 (s, 1H), 8.78 (s, 1H), 4.03 (s, 3H), 3.90 (s, 2H), 2.59 (br s, 4H), 1.82 (br s, 4H).
  • 12
  • [ 24424-99-5 ]
  • [ 193966-70-0 ]
  • [ 370594-60-8 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium hydroxide; potassium carbonate; In 1,4-dioxane; water; N,N-dimethyl-formamide; Example 13-3 Synthesis of 5-(N-Boc-N-2-picolylaminomethyl)pyrazine-2-carboxylic acid (Compound VII-6) The compound obtained in Example 13-2 (320 mg) was dissolved in DMF (6.4 ml) and potassium carbonate (383 mg) and 2-picolylamine (286 mul) were added. After the reaction for 17 hours, the reaction solution was concentrated, and added with water, followed by extraction with chloroform. The organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated to obtain a crude product of the title compound (444.1 mg) as brown syrup. The crude product was dissolved in dioxane (4 ml),and di-t-butyldicarbonate (0.35 ml) and 1 mol/l aqueous solution.of sodium hydroxide (4 ml) were added. After the reaction for 2 hours, the reaction solution was concentrated. After the addition of dilute hydrochloric acid, the residue was extracted with chloroform. The organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated to obtain the title compound (158.8 mg) as a light brown solid. MS(FAB,Pos.):m/z=345[M+1]+
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 193966-70-0 ]

Bromides

Chemical Structure| 210037-58-4

[ 210037-58-4 ]

Methyl 5-bromopyrazine-2-carboxylate

Similarity: 0.71

Chemical Structure| 40155-34-8

[ 40155-34-8 ]

Methyl 6-bromopyrazine-2-carboxylate

Similarity: 0.71

Chemical Structure| 36070-83-4

[ 36070-83-4 ]

Ethyl 5-bromopyrazine-2-carboxylate

Similarity: 0.69

Chemical Structure| 51171-02-9

[ 51171-02-9 ]

Methyl 3-Bromo-2-pyrazinecarboxylate

Similarity: 0.67

Chemical Structure| 146462-25-1

[ 146462-25-1 ]

Methyl 6-(bromomethyl)picolinate

Similarity: 0.64

Esters

Chemical Structure| 41110-38-7

[ 41110-38-7 ]

Methyl 6-methylpyrazine-2-carboxylate

Similarity: 0.90

Chemical Structure| 41110-34-3

[ 41110-34-3 ]

Ethyl 5-methylpyrazine-2-carboxylate

Similarity: 0.87

Chemical Structure| 1865-11-8

[ 1865-11-8 ]

Methyl quinoxaline-2-carboxylate

Similarity: 0.79

Chemical Structure| 6164-79-0

[ 6164-79-0 ]

Methyl 2-pyrazinecarboxylate

Similarity: 0.75

Chemical Structure| 6924-68-1

[ 6924-68-1 ]

Ethyl pyrazine-2-carboxylate

Similarity: 0.73

Related Parent Nucleus of
[ 193966-70-0 ]

Pyrazines

Chemical Structure| 41110-38-7

[ 41110-38-7 ]

Methyl 6-methylpyrazine-2-carboxylate

Similarity: 0.90

Chemical Structure| 41110-34-3

[ 41110-34-3 ]

Ethyl 5-methylpyrazine-2-carboxylate

Similarity: 0.87

Chemical Structure| 5521-55-1

[ 5521-55-1 ]

5-Methylpyrazine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 5521-61-9

[ 5521-61-9 ]

6-Methylpyrazine-2-carboxylic acid

Similarity: 0.80

Chemical Structure| 6164-79-0

[ 6164-79-0 ]

Methyl 2-pyrazinecarboxylate

Similarity: 0.75

; ;