Name | 6-bromo-1,2-benzoxazole |
Synonyms | 6-bromo-1,2-benzoxazole 6-broMobenzo[d]isoxazole 6-BROMO-1,2-BENZISOXAZOLE 6-Bromo-1,2-benzisoxazole 1,2-Benzisoxazole, 6-bromo- |
CAS | 1060802-88-1 |
Molecular Formula | C7H4BrNO |
Molar Mass | 198.02 |
Density | 1.710±0.06 g/cm3(Predicted) |
Boling Point | 276.1±13.0 °C(Predicted) |
pKa | -3.34±0.30(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Sensitive | Irritant |
MDL | MFCD06659634 |
use | 6-bromo-1, 2-benzisothiazole can be used as an intermediate in pharmaceutical synthesis. |
preparation | the mixture of compound 2-fluoro-4-bromobenzaldehyde (2g,10mmol), hydroxylamine hydrochloride (830mg,12mmol) and sodium acetate (656mg,8mmol) in water (5mL) and ethanol (20mL) is stirred under nitrogen, keep at 25 ℃ for 5 hours. Concentrate the solution to dry. The crude product was washed with water (5mL) and dried to obtain compound 280B. Potassium carbonate (638mg,4.6mmol) was added to DMSO(10mL) solution of compound 280B(717mg,3.3mmol) at 25 ℃. The mixture was stirred at 120°C overnight. The solution was cooled to room temperature and extracted with ethyl acetate (100mL × 2). The combined organic layer was washed with water (50mL) and brine (50mL), dried with anhydrous sodium sulfate, filtered and evaporated to give compound 6-bromo-1, 2-benzisothiazole 280C. |