Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate
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Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate
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CAS No:
221136-66-9
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Formula:
C9H11BrN2O3
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Chemical Name:
Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate
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Synonyms:
1(2H)-Pyrazineacetic acid,3-bromo-6-methyl-2-oxo-,ethyl ester;Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate;3-Bromo-1-(ethoxycarbonylmethyl)-6-methylpyrazinone
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CAS No:
Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate Basic Attributes
275.1
275.10
606-937-7
DTXSID10363835
Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate Use and Manufacturing
A solution of ethyl 2-(3-bromo-6-methyl-2-oxopyrazin-1 (2H)-yl)acetate (411 mg, 1.5 mmol) and phenethylamine (189 muL, 1.5 mmol) in 1:1 toluene/EtOH (10 mL) was heated at 125 C. for 18 h in a sealed flask. Upon cooling, the reaction mixture was concentrated then taken up in EtOAc and washed with sat. aq. NaHCO3, brine and dried over Na2SO4 then concentrated. The crude product was purified by chromatography (60% EtOAc/hexanes) to furnish ethyl 2-(6-methyl-2-oxo-3-(phenethylamino)pyrazin-1(2H)-yl)acetate as a beige solid (390 mg, 82% yield).
Computed Properties
Molecular Weight:275.10
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:273.99530
Monoisotopic Mass:273.99530
Topological Polar Surface Area:59
Heavy Atom Count:15
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate
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