5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
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5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
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CAS No:
913836-17-6
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Formula:
C7H6BrNO3
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Chemical Name:
5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
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Synonyms:
METHYL 5-BROMO-2-HYDROXY-4-PYRIDINECARBOXYLATE;METHYL 5-BROMO-2-HYDROXYISONICOTINATE;Methyl 5-Bromo-2-hydroxypyridine-4-carboxylate, 5-Bromo-4-methoxycarbonyl-2(1H)-pyridinone;Methyl 5-bromo-2-hydroxyisonicotinate 98%;4-Pyridinecarboxylic acid, 5-broMo-1,2-dihydro-2-oxo-, Methyl ester;Methyl 5-broMo-2-hydroxypyridine-4-carboxylate;Methyl 5-broMo-2-oxo-1,2-dihydropyridine-4-carboxylate;Methyl 5-bromo-2-hydroxypyridine-4-carboxylate, 5-Bromo-2-hydroxy-4-(methoxycarbonyl)pyridine
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CAS No:
5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE Basic Attributes
232.03144
230.953094
DTXSID00649554
2933399090
Safety Information
Xi
Irritant
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE Use and Manufacturing
Step A: Step A: methyl 5-bromo-2-oxo-1, 2-dihydropyridine-4-carboxylate-II To a stirred solution of Conc.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 clear brown solution was cooled to 0 C. To the mixture was added NaNO2 (50 g, 0.668 mmol) in water (150 mL) drop wise using addition funnel at 0 C. Vigorous effervescence with evolution of N2 gas was observed. The reaction mixture was warmed to room temperature. The reaction mixture was stirred for additional 30 min at room temperature. The solid was filtered, washed with water (3*150 mL) followed by n-hexane (2*100 mL) to yield as a yellow solid. (48.0 g, 93% yield). 1H NMR (DMSO-d6, 400 MHz), delta (ppm): 7.62 (s, 1H), 6.90 (s, 1H), 5.0 (br, 1H), 3.98 (s, 3H). MS (ESI): mass calcd. for C7H7BrN2O2, 232.01; m/z found, 234[M+2H]+.Step B: methyl 5-bromo-1-methyl-2-oxo-1, 2-dihydropyridine-4-carboxylate-III To a stirred solution of
Computed Properties
Molecular Weight:232.03
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:230.95311
Monoisotopic Mass:230.95311
Topological Polar Surface Area:55.4
Heavy Atom Count:12
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
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