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| | 2-Bromo-5-fomylthiazole Basic information |
| | 2-Bromo-5-fomylthiazole Chemical Properties |
| Melting point | 94-96°C | | Boiling point | 264.9±13.0 °C(Predicted) | | density | 1.920±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | -0.94±0.10(Predicted) | | form | Crystalline Powder | | color | White to yellow | | InChI | InChI=1S/C4H2BrNOS/c5-4-6-1-3(2-7)8-4/h1-2H | | InChIKey | DJUWIZUEHXRECB-UHFFFAOYSA-N | | SMILES | S1C(C=O)=CN=C1Br | | CAS DataBase Reference | 464192-28-7(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-43-36-22 | | Safety Statements | 26-36/37/39-36/37 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29339900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1 |
| | 2-Bromo-5-fomylthiazole Usage And Synthesis |
| Chemical Properties | Yellow powder | | Uses | 2-Bromothiazole-5-carboxaldehyde is a reactant in the preparation of thienopyridines as potent checkpoint 1 kinase (CHK1) inhibitors. | | Synthesis | General procedure for the synthesis of 2-bromo-5-formylthiazole from 2-bromothiazole-5-methanol: Manganese dioxide (3.8 g, 37.10 mmol) was added to a solution of 2-bromothiazole-5-methanol (1.44 g, 7.42 mmol) in trichloromethane (20 mL). The reaction mixture was stirred at room temperature for 3 days. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was concentrated under reduced pressure to give 2-bromo-5-formylthiazole (870 mg, 61% yield) as a white solid. The structure of the product was confirmed by nuclear magnetic resonance hydrogen spectrum (1H-NMR, 400 MHz, CDCl3): δ 9.95 (s, 1H), 8.16 (s, 1H); nuclear magnetic resonance carbon spectrum (13C-NMR, 100 MHz, CDCl3): δ 180.93, 150.47, 145.48, 142.91; mass spectra (ESI): m/z 192.31 ([MH+]). | | References | [1] Patent: WO2008/61795, 2008, A2. Location in patent: Page/Page column 61-62 |
| | 2-Bromo-5-fomylthiazole Preparation Products And Raw materials |
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