Identification | Back Directory | [Name]
2-bromo-1H-pyrrolo[2,3-b]pyridine | [CAS]
1083181-25-2 | [Synonyms]
2-bromo-1H-pyrrolo[2,3-b]pyridine 1H-Pyrrolo[2,3-b]pyridine, 2-broMo- | [Molecular Formula]
C7H5BrN2 | [MDL Number]
MFCD11559018 | [MOL File]
1083181-25-2.mol | [Molecular Weight]
197.03 |
Chemical Properties | Back Directory | [density ]
1.770±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
12.22±0.40(Predicted) | [Appearance]
Off-white to yellow Solid |
Hazard Information | Back Directory | [Synthesis]
2-Bromo-1-toluenesulfonyl-1H-pyrrolo[2,3-b]pyridine (30 g, 0.085 mol) was used as a raw material, which was mixed with methanol (850 mL) and aqueous potassium hydroxide solution (5 mol/L, 100 mL). The reaction mixture was heated under reflux conditions overnight. Upon completion of the reaction, most of the solvent was evaporated under reduced pressure. The residue was partitioned between ethyl acetate (EtOAc) and water. The organic layer was separated, dried over anhydrous sodium sulfate (Na2SO4) and subsequently concentrated to afford 2-bromo-1H-pyrrolo[2,3-b]pyridine (24 g, 80% yield), which could be used in subsequent steps without further purification. The 1H NMR (400 MHz, DMSO-d6) data of the product were as follows: δ 6.550 (s, 1H); 7.039 (dd, J = 5.2 Hz, 3.2 Hz, 1H); 7.857 (dd, J = 1.6 Hz, 3.2 Hz, 1H); 8.155 (q, J = 1.6 Hz, 1H); 12.418 (br, 1H). | [References]
[1] Patent: US2009/318455, 2009, A1. Location in patent: Page/Page column 98-99 |
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