|
|
| | 2-Bromothieno[3,2-c]pyridin-4(5H)-one Basic information |
| Product Name: | 2-Bromothieno[3,2-c]pyridin-4(5H)-one | | Synonyms: | 2-Bromothieno[3,2-c]pyridin-4(5H)-one;2-broMo-4H,5H-thieno[3,2-c]pyridin-4-one;2-Bromo-5H-thieno[3,2-c]pyridin-4-one;146497;Thieno[3,2-c]pyridin-4(5H)-one, 2-bromo-;2-BroMothieno[3,2-c]pyridin-4-ol | | CAS: | 28948-60-9 | | MF: | C7H4BrNOS | | MW: | 230.08 | | EINECS: | 604-604-1 | | Product Categories: | | | Mol File: | 28948-60-9.mol | ![2-Bromothieno[3,2-c]pyridin-4(5H)-one Structure](CAS/GIF/28948-60-9.gif) |
| | 2-Bromothieno[3,2-c]pyridin-4(5H)-one Chemical Properties |
| 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 |
| | 2-Bromothieno[3,2-c]pyridin-4(5H)-one Usage And Synthesis |
| 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 |
| | 2-Bromothieno[3,2-c]pyridin-4(5H)-one Preparation Products And Raw materials |
|