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| | 3-(BROMOMETHYL)-1,2-BENZISOXAZOLE Basic information |
| | 3-(BROMOMETHYL)-1,2-BENZISOXAZOLE Chemical Properties |
| Melting point | 64-65°C | | Boiling point | 302.5±17.0 °C(Predicted) | | density | 1.642±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Acetone, Chloroform, Dichloromethane, Ethyl Acetate | | form | Solid | | pka | -3.26±0.30(Predicted) | | color | Colourless Crystalline | | InChI | InChI=1S/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2 | | InChIKey | MAIKTETULSZRED-UHFFFAOYSA-N | | SMILES | O1C2=C(C=CC=C2)C(CBr)=N1 | | CAS DataBase Reference | 37924-85-9(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 22-36 | | Safety Statements | 26 | | HS Code | 29349990 |
| | 3-(BROMOMETHYL)-1,2-BENZISOXAZOLE Usage And Synthesis |
| Chemical Properties | Colourless Crystalline Solid | | Synthesis | General procedure for the synthesis of 3-(bromomethyl)benzo[d]isoxazole from 2-(benzo[d]isoxazol-3-yl)-2-bromoacetic acid: 2-(benzo[d]isoxazol-3-yl)-2-bromoacetic acid (Ref. J. Med. Chem. 2003, 46, 5428-5436; Chem. Pharm. Bull. 1978, 26, 3498-3503) was slowly heated to 130 °C and stirred at this temperature for 30 min. A large amount of gas was observed to escape during the reaction. After completion of the reaction, the mixture was cooled to room temperature and filtered to obtain a brown crystalline product. Finally, the product was purified by column chromatography (eluent: hexane) to afford 3-(bromomethyl)benzo[d]isoxazole (2.3 g, 70% yield). | | References | [1] Patent: US2005/267074, 2005, A1. Location in patent: Page/Page column 26; 45
[2] Patent: US4859691, 1989, A
[3] Patent: CN105399697, 2016, A. Location in patent: Paragraph 0161; 0163 |
| | 3-(BROMOMETHYL)-1,2-BENZISOXAZOLE Preparation Products And Raw materials |
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