ChemicalBook--->CAS DataBase List--->913836-17-6

913836-17-6

913836-17-6 Structure

913836-17-6 Structure
IdentificationBack Directory
[Name]

5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
[CAS]

913836-17-6
[Synonyms]

METHYL 5-BROMO-2-HYDROXYISONICOTINATE
Methyl 5-bromo-2-hydroxyisonicotinate 98%
5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
METHYL 5-BROMO-2-HYDROXY-4-PYRIDINECARBOXYLATE
Methyl 5-bromo-2-oxo-1h-pyridine-4-carboxylate
Methyl 5-broMo-2-hydroxypyridine-4-carboxylate
Methyl 5-broMo-2-oxo-1,2-dihydropyridine-4-carboxylate
5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE ISO 9001:2015 REACH
5-Bromo-1,2-dihydro-2-oxo-pyridin-4-carboxylic acid methyl ester
4-Pyridinecarboxylic acid, 5-broMo-1,2-dihydro-2-oxo-, Methyl ester
Methyl 5-Bromo-2-hydroxypyridine-4-carboxylate, 5-Bromo-4-methoxycarbonyl-2(1H)-pyridinone
Methyl 5-bromo-2-hydroxypyridine-4-carboxylate, 5-Bromo-2-hydroxy-4-(methoxycarbonyl)pyridine
[Molecular Formula]

C7H6BrNO3
[MDL Number]

MFCD09027265
[MOL File]

913836-17-6.mol
[Molecular Weight]

232.03
Chemical PropertiesBack Directory
[Boiling point ]

325.3±42.0 °C(Predicted)
[density ]

1.737±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

8.96±0.10(Predicted)
[color ]

yellow
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P280-P261
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2933399990
Questions And AnswerBack Directory
[Application]

5-Bromo-2-hydroxyisonicotinic acid methyl ester is a carboxylic acid ester derivative, mainly used as a pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE(913836-17-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 2-amino-5-bromo-4-pyridinecarboxylate

882499-87-8

5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE

913836-17-6

Step A: Synthesis of methyl 5-bromo-2-oxo-1,2-dihydropyridine-4-carboxylate-II To a stirred solution of concentrated H2SO4 (50 mL, 0.668 mol) in water (500 mL) was added methyl 2-amino-5-bromoisonicotinate (I, 50 g, 0.226 mol). The resulting clarified brown solution was cooled to 0°C. A solution of NaNO2 (50 g, 0.668 mol) in water (150 mL) was added slowly and dropwise to the mixture at 0 °C using an addition funnel. During the reaction, vigorous bubble production was observed, accompanied by the escape of N2 gas. The reaction mixture was gradually warmed to room temperature and stirring was continued at room temperature for 30 minutes. Upon completion of the reaction, the solid product was collected by filtration and washed sequentially with water (3 x 150 mL) and hexane (2 x 100 mL) to give a yellow solid product (48.0 g, 93% yield). Product characterization data: 1H NMR (DMSO-d6, 400 MHz), δ (ppm): 7.62 (s, 1H), 6.90 (s, 1H), 5.0 (br, 1H), 3.98 (s, 3H). MS (ESI): mass calculated value C7H7BrN2O2, 232.01; m/z found, 234 [M + 2H]+.

[References]

[1] Patent: US2018/282345, 2018, A1. Location in patent: Paragraph 0180
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