| Identification | Back Directory | [Name]
2-Bromothieno[3,2-c]pyridin-4(5H)-one | [CAS]
28948-60-9 | [Synonyms]
146497
2-BroMothieno[3,2-c]pyridin-4-ol
2-Bromo-5H-thieno[3,2-c]pyridin-4-one
2-Bromothieno[3,2-c]pyridin-4(5H)-one
2-broMo-4H,5H-thieno[3,2-c]pyridin-4-one
Thieno[3,2-c]pyridin-4(5H)-one, 2-bromo- | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C7H4BrNOS | [MDL Number]
MFCD11846177 | [MOL File]
28948-60-9.mol | [Molecular Weight]
230.08 |
| Chemical Properties | Back Directory | [Boiling point ]
461.7±45.0 °C(Predicted) | [density ]
1.801±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
12.12±0.20(Predicted) | [Appearance]
Brown to black Solid | [InChI]
InChI=1S/C7H4BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h1-3H,(H,9,10) | [InChIKey]
ZDUWCUXIWRAXLF-UHFFFAOYSA-N | [SMILES]
C1(=O)NC=CC2SC(Br)=CC1=2 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-bromo-4-hydroxythieno[3,2-C]pyridine from the compound (CAS: 636999-00-3): intermediate 49 2-bromothieno[3,2-C]pyridin-4(5H)-one [(2E)-3-(5-bromothiophene-2-yl)]acryloyl azide (18.00 g, 69.7 mmol) was dissolved in dichloromethane (100 mL) and the resulting solution was slowly added dropwise to diphenyl ether (90 mL) at 150 °C. The reaction temperature was then raised to 220 °C and maintained for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and ether was added to precipitate the solid. The solid product was separated by filtration to give 13.58 g (84.6% yield). The product was characterized by 1H NMR (270 MHz, DMSO-d6): δ 6.82 (d, J = 7.13 Hz, 1H), 7.27 (d, J = 6.86 Hz, 1H), 7.54 (s, 1H), 11.55 (s, 1H); the mass spectrum (MS) showed m/z 230.1 ([M-H]+); and the purity of the HPLC analysis was 92%. | [References]
[1] Patent: WO2004/828, 2003, A1 |
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