| Identification | Back Directory | [Name]
BENZYL 4-BROMOBUTANOATE | [CAS]
126430-46-4 | [Synonyms]
BENZYL 4-BROMOBUTYRATE
BENZYL 4-BROMOBUTANOATE
4-Bromobutyric acid benzyl ester
4-Bromobutanoic acid benzyl ester
4-bromo-n-butyric acid benzyl este
4-broMo-n-butyric acid benzyl ester
Butanoic acid, 4-bromo-, phenylmethyl ester | [Molecular Formula]
C11H13BrO2 | [MDL Number]
MFCD00143681 | [MOL File]
126430-46-4.mol | [Molecular Weight]
257.12 |
| Chemical Properties | Back Directory | [Boiling point ]
314.3±25.0 °C(Predicted) | [density ]
1.364±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
Colorless to light yellow Liquid |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: 4-Bromobutanoyl chloride (10.27 g, 55.4 mmol) was dissolved in 100 mL of dichloromethane, followed by the addition of benzyl alcohol (6.29 g, 58.1 mmol). Potassium carbonate (8.3 g, 60 mmol) was added to the reaction mixture in four batches. After 2 hours of reaction, water was added for layering. The organic layer was washed sequentially with water and brine and dried with anhydrous magnesium sulfate. The solvent was removed by evaporation under reduced pressure to give benzyl 4-bromo n-butyrate (11.87 g, 83% yield) as a colorless oil. Its 1H NMR (400 MHz, CDCl3) data were as follows: δ 7.36 (m, 5H), 5.14 (s, 2H), 3.46 (t, J = 6.4 Hz, 2H), 2.56 (t, J = 7.2 Hz, 2H), 2.20 (quin, J = 6.6 Hz, 2H). | [References]
[1] Patent: US2006/189603, 2006, A1. Location in patent: Page/Page column 57
[2] Patent: WO2016/86026, 2016, A1. Location in patent: Paragraph 00140
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 26, p. 5176 - 5182
[4] Synthesis, 2010, # 6, p. 953 - 958
[5] Patent: EP1724278, 2006, A1. Location in patent: Page/Page column 44-45 |
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