| Identification | Back Directory | [Name]
2-(CHLOROMETHYL)-1,3-BENZOXAZOLE | [CAS]
41014-43-1 | [Synonyms]
BUTTPARK 77\06-47
2-CHLOROMETHYLBENZOXAZOLE
2-Chloromethyl-benzooxazole
Benzoxazole, 2-(chloroMethyl)-
2-(chlormethyl)-1,3-benzoxazole
2-(CHLOROMETHYL)BENZO[D]OXAZOLE
2-(CHLOROMETHYL)-1,3-BENZOXAZOLE | [Molecular Formula]
C8H6ClNO | [MDL Number]
MFCD05664964 | [MOL File]
41014-43-1.mol | [Molecular Weight]
167.59 |
| Chemical Properties | Back Directory | [Boiling point ]
75/0.15mm | [density ]
1.316±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
liquid | [pka]
0.95±0.10(Predicted) | [color ]
Clear, very pale yellow | [InChI]
1S/C8H6ClNO/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2 | [InChIKey]
ANRDUCQCZKLSGF-UHFFFAOYSA-N | [SMILES]
ClCc1nc2ccccc2o1 |
| Hazard Information | Back Directory | [Synthesis]
B. To a stirred suspension of o-aminophenol (365 mg, 3.35 mmol) in dichloromethane (7 mL) was added ethyl 2-chloroacetimidate hydrochloride (798 mg, 5.05 mmol) in one batch at 0 °C. After 1 hour and 25 minutes of reaction, the mixture was raised from 0°C to ambient temperature and stirring was continued overnight. After completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was concentrated. The residue was purified by column chromatography (eluent: hexane/ethyl acetate, 7/3) to afford 2-chloromethyl-1,3-benzoxazole as a light-colored oil (533 mg, 95% yield). | [References]
[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 5, p. 1706 - 1712
[2] Patent: WO2008/110793, 2008, A1. Location in patent: Page/Page column 103-104
[3] Molecules, 2018, vol. 23, # 10,
[4] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3066 - 3075
[5] Synthesis, 1979, p. 102 - 103 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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