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82019-32-7

82019-32-7 Structure

82019-32-7 Structure
IdentificationBack Directory
[Name]

7-BROMO-1-METHYL-1H-QUINOXALIN-2-ONE
[CAS]

82019-32-7
[Synonyms]

7-BROMO-1-METHYL-1H-QUINOXALIN-2-ONE
7-bromo-1-methylquinoxalin-2(1H)-one
2(1H)-Quinoxalinone, 7-bromo-1-methyl-
7-broMo-1-Methyl-1,2-dihydroquinoxalin-2-one
[Molecular Formula]

C9H7BrN2O
[MDL Number]

MFCD10000855
[MOL File]

82019-32-7.mol
[Molecular Weight]

239.07
Chemical PropertiesBack Directory
[Boiling point ]

367.1±44.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

-1.13±0.70(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

7-BROMO-1-METHYL-1H-QUINOXALIN-2-ONE(82019-32-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

7-bromoquinoxalin-2(1H)-one

82031-32-1

Iodomethane

74-88-4

7-BROMO-1-METHYL-1H-QUINOXALIN-2-ONE

82019-32-7

7-Bromo-2(1H)-quinoxalinone (313.1 mg, 1.391 mmol) was dissolved in 0.15 M DMF solution (9.2 mL) and potassium carbonate (288.4 mg, 2.087 mmol) and iodomethane (95.5 μL, 1.530 mmol) were added sequentially. The reaction mixture was stirred at room temperature for 30 min. After completion of the reaction, the reaction mixture was diluted with water and extracted with ethyl acetate (2×). The organic phases were combined, washed sequentially with water (3×) and saturated saline (1×), dried over anhydrous sodium sulfate, filtered and concentrated. Purification by Biotage fast chromatography (eluent: hexane/ethyl acetate) afforded 7-bromo-1-methyl-1H-quinoxalin-2-one (87.6 mg, 0.366 mmol, 26.3% yield).1H NMR (400 MHz, (CD3)2SO) δ = 8.257 (s, 1H), 7.824 (s, 1H), 7.768-7.746 (d, 1H), 7.569-7.543 (dd, 1H), 3.591 (s, 3H).

[References]

[1] Patent: WO2012/118492, 2012, A1. Location in patent: Page/Page column 97
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