| Identification | Back Directory | [Name]
2-bromomethylbenzoxazole | [CAS]
73101-74-3 | [Synonyms]
2-bromomethylbenzoxazole
2-BroMoMethyl-benzooxazole
Benzoxazole, 2-(broMoMethyl)-
2-BroMoMethyl-1,3-benzoxazole
2-(broMoMethyl)benzo[d]oxazole | [Molecular Formula]
C8H6BrNO | [MDL Number]
MFCD11856915 | [MOL File]
73101-74-3.mol | [Molecular Weight]
212.04 |
| Chemical Properties | Back Directory | [Melting point ]
35-37 °C | [Boiling point ]
253.9±23.0 °C(Predicted) | [density ]
1.642±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
0.93±0.10(Predicted) | [Appearance]
Off-white to light yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 2-bromomethylbenzoxazole from 2-methylbenzoxazole was as follows: 2-methylbenzoxazole (665 mg, 5 mmol) was dissolved in carbon tetrachloride (16 mL) under stirring conditions, followed by the addition of N-bromosuccinimide (890 mg, 5 mmol) and azobis(isobutyronitrile) (188 mg, 1.15 mmol) in sequence. The reaction mixture was stirred at 0 °C and then heated to reflux for 12 hours. After completion of the reaction, it was cooled to room temperature, filtered to remove insoluble material and the filtrate was concentrated. Finally, the residue was purified by column chromatography to afford 2-bromomethylbenzoxazole as a light yellow oil (471 mg, 45% yield). | [References]
[1] Patent: US5977101, 1999, A
[2] Patent: CN103570683, 2018, B. Location in patent: Paragraph 0255; 0260; 0261
[3] Chemical and Pharmaceutical Bulletin, 1981, vol. 29, # 8, p. 2359 - 2361
[4] Patent: WO2005/92856, 2005, A1. Location in patent: Page/Page column 95 |
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