Name | 4-Bromoisothiazole |
Synonyms | 4-Bromoisothiazole 4-BROMO-ISOTHIAZOLE 4-Bromo-isothiazole 4-broMo-1,2-thiazole 4-Bromo-1,2-thiazole ISOTHIAZOLE, 4-BROMO- Isothiazole, 4-bromo- |
CAS | 24340-77-0 |
InChI | InChI=1/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H |
Molecular Formula | C3H2BrNS |
Molar Mass | 164.02 |
Density | 1.857±0.06 g/cm3(Predicted) |
Boling Point | 83.5±23.0 °C(Predicted) |
Flash Point | 4.3°C |
Vapor Presure | 83.8mmHg at 25°C |
pKa | 1.59±0.22(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.604 |
introduction | 4-bromoisothiazole is a pharmaceutical intermediate that can be used in laboratory research and development and chemical synthesis. It can be prepared by one-step bromination of isothiazole and can be used to prepare Bcr-Abl1 kinase inhibitors. |
Application | 4-bromoisothiazole is a pharmaceutical intermediate, which can be prepared by one-step bromination of isothiazole and can be used to prepare Bcr-Abl1 kinase inhibitors. |
preparation | add Br2(12.5g,78.12 mmol) dropwise to the solution of isothiazole (5.0g,58.82 mmol) in AcOH(37 mL) at 95 ℃ for 6 h, then cool to RT, and pour into ice water (100mL). The resulting mixture was extracted with Et2O(200mL × 2). The organic phase was washed with 6N NaOH to pH 7~8, dried by anhydrous Na2SO4 and filtered. The filtrate was vacuum concentrated and the resulting residue was purified by distillation to obtain a white solid 4-bromoisothiazole (1.5g,15%). |