| Identification | Back Directory | [Name]
6-Bromo-4-aza-2-oxindole | [CAS]
1190319-62-0 | [Synonyms]
6-Bromo-4-aza-2-oxindole
6-bromo-1H-pyrrolo[3,2-b]pyridin-2(3H)-one
6-broMo-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one
3-bromo-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
6-bromo-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one
2H-Pyrrolo[3,2-b]pyridin-2-one, 6-bromo-1,3-dihydro- | [EINECS(EC#)]
200-258-5 | [Molecular Formula]
C7H5BrN2O | [MDL Number]
MFCD12963039 | [MOL File]
1190319-62-0.mol | [Molecular Weight]
213.03 |
| Chemical Properties | Back Directory | [Boiling point ]
345.7±42.0 °C(Predicted) | [density ]
1.768±0.06 g/cm3(Predicted) | [storage temp. ]
Store at room temperature | [pka]
12.03±0.20(Predicted) | [Appearance]
Light brown to brown Solid |
| Hazard Information | Back Directory | [Synthesis]
Step 3: Ethyl 2-(3-amino-5-bromopyridin-2-yl)acetate (3.5 g, 13.5 mmol) was dissolved in 97 mL of aqueous HCl (97 mmol). The reaction mixture was stirred at 50 °C for 18 hours. Upon completion of the reaction, the mixture was cooled to room temperature and solid NaHCO3 was slowly added to neutralize the acidity. Subsequently, the aqueous layer was extracted with ethyl acetate (3 x 100 mL). The organic layers were combined, washed sequentially with water and brine and dried over anhydrous Na2SO4. Concentration of the organic phase under reduced pressure afforded the target compound 6-bromo-1H-pyrrolo[3,2-b]pyridin-2(3H)-one (1.9 g, 8.12 mmol, 60% yield) as a tan solid.LCMS analysis showed a calculated value of [M + H]+ of 215 and a measured value of 215, which was in accordance with the expected isotopic distribution pattern. | [References]
[1] Journal of Medicinal Chemistry, 2012, vol. 55, # 17, p. 7667 - 7685
[2] Patent: WO2016/8593, 2016, A1. Location in patent: Page/Page column 110; 111 |
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