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Home > Encyclopedia > Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate

Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate

Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate structure

Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate 

structure
  • CAS No:

    221136-66-9

  • Formula:

    C9H11BrN2O3

  • Chemical Name:

    Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate

  • 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

Ethyl 3-bromo-6-methyl-2-oxo-1(2H)-pyrazineacetate Basic Attributes

275.1

275.10

606-937-7

DTXSID10363835

Characteristics

59

1.2

1.55g/cm3

338.3°C at 760 mmHg

158.4ºC

1.58

9.89E-05mmHg at 25°C

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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