| Identification | More | [Name]
3-(BROMOMETHYL)-1,2-BENZISOXAZOLE | [CAS]
37924-85-9 | [Synonyms]
3-(BROMOMETHYL)-1,2-BENZISOXAZOLE
BMBI
3-BROMOMETHYL-1,2-BENZISOXAZOLE(ZONISAMIDE INTERMEDIATE)
3-Bromoethylbenzo[o]isoxazole
3-(bromomethyl)benzo[d]isoxazole
1,2-Benzisoxazole, 3-(bromomethyl)- | [Molecular Formula]
C8H6BrNO | [MDL Number]
MFCD03701148 | [Molecular Weight]
212.04 | [MOL File]
37924-85-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless Crystalline Solid | [Melting point ]
64-65°C | [Boiling point ]
302.5±17.0 °C(Predicted) | [density ]
1.642±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,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 Information | Back Directory | [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 |
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
| Company Name: |
parabiochem
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025-83453382-8005 |
| Website: |
www.parabiochem.cn |
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