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6966-01-4

6966-01-4 Structure

6966-01-4 Structure
IdentificationBack Directory
[Name]

Methyl 3-amino-6-bromopyrazine-2-carboxylate
[CAS]

6966-01-4
[Synonyms]

NSC 18700
Favipiravir Impurity 24
3-AMINO-6-BROMOPYRAZINE-2-CARBOXYLATE
Methyl 3-amino-6-bromopyrazine-2-formate
2-Amino-5-bromo-3-(methoxycarbonyl)pyrazine
METHYL 3-AMINO-6-BROMOPYRAZINE-2-CARBOXYLATE
Methyl 6-BroMo-3-aMinopyrazine-2-carboxylate
Methyl 6-broMo-3-aMino-2-pyrazinecarboxylate
Methyl3-Amino-6-bromopyrazine-2-carboxylate>
Methyl 6-Bromo-3-aminopyrazine-2-carboxylic ester
5-amino-2-bromo-6-pyrazinecarboxylicacid methyl es
3-AMino-6-broMopyrazine-2-carboxylate Methyl ester
5-AMINO-2-BROMO-6-PYRAZINECARBOXYLIC ACIDMETHYL ESTER
3-Amino-6-bromopyrazine-2-carboxylic acid methyl ester
3-AMino-6-broMo-2-pyrazinecarboxylic acid Methyl Ester
2-pyrazinecarboxylic Acid, 3-amino-6-bromo-, Methyl Ester
Methyl 3-aMino-6-broMopyrazine-2-carboxylate -CAS6966-01-4
Methyl 3-amino-6-bromopyrazine-2-carboxylate ISO 9001:2015 REACH
5-Bromo-3-(methoxycarbonyl)pyrazin-2-amine, 2-Amino-5-bromo-3-(methoxycarbonyl)pyrazine
[EINECS(EC#)]

687-153-2
[Molecular Formula]

C6H6BrN3O2
[MDL Number]

MFCD00834964
[MOL File]

6966-01-4.mol
[Molecular Weight]

232.03
Chemical PropertiesBack Directory
[Melting point ]

164-166?C
[Boiling point ]

322.4±37.0 °C(Predicted)
[density ]

1.754±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

soluble in Chloroform, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

-1.74±0.10(Predicted)
[color ]

Off-white to yellow
[InChI]

InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
[InChIKey]

CNXSIRHOIFRMOB-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)=NC(Br)=CN=C1N
[CAS DataBase Reference]

6966-01-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P280
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

37
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

Orange Solid
[Uses]

Pyrazine derivatives as Axl and C-Met receptor enzyme inhibitors.
[Synthesis]

Methyl 3-amino-2-pyrazinecarboxylate

16298-03-6

Methyl 3-amino-6-bromopyrazine-2-carboxylate

6966-01-4

General Steps: Example 1; Synthesis of 3-methyl-6-(4-(methylsulfonyl)phenyl)-N-phenylpiperazine-2-carboxamide (Compound IV-1) Method A: Step 1: Preparation of methyl 3-amino-6-bromopyrazine-2-carboxylate[A Methyl 3-aminopyrazine-2-carboxylate (8.35 g, 54.53 mmol) was mixed with N-bromosuccinimide (9.705 g, 54.53 mmol) in acetonitrile (100 mL), and the reaction was stirred for 16 hours at room temperature. After completion of the reaction, the precipitate was collected by filtration, washed with acetonitrile and dried to afford the target product methyl 3-amino-6-bromopyrazine-2-carboxylate as a yellow solid (11.68 g, 92% yield). 1H NMR (400.0 MHz, DMSO-d6) δ 3.85 (s, 3H), 7.55 (br s, 2H), 8.42 (s, 1H) ppm; MS (ES+) m/z 233.

[References]

[1] Patent: WO2007/61360, 2007, A2. Location in patent: Page/Page column 71
[2] Heterocycles, 2005, vol. 65, # 10, p. 2321 - 2327
[3] Patent: WO2004/92177, 2004, A1. Location in patent: Page 35-36
[4] Patent: US2011/59118, 2011, A1. Location in patent: Page/Page column 84-85
[5] Patent: WO2010/54398, 2010, A1. Location in patent: Page/Page column 90
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-amino-6-bromopyrazine-2-carboxylate(6966-01-4)1HNMR
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