| Identification | Back Directory | [Name]
4-(2-Bromo-acetyl)-benzoic acid | [CAS]
20099-90-5 | [Synonyms]
Benzoic acid,4-(2-bromoacetyl)-
2-BroMo-4'-(hydroxycarbonyl)acetophenone | [Molecular Formula]
C9H7BrO3 | [MDL Number]
MFCD00229872 | [MOL File]
20099-90-5.mol | [Molecular Weight]
243.05 |
| Chemical Properties | Back Directory | [Melting point ]
224-225℃ (methanol ) | [Boiling point ]
386.2±22.0 °C(Predicted) | [density ]
1.657±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
solid | [pka]
3.68±0.10(Predicted) | [color ]
Off-white |
| Hazard Information | Back Directory | [Uses]
A phenacyl bromide | [Synthesis]
General procedure for the synthesis of 4-(2-bromoacetyl)benzoic acid from 4-acetylbenzoic acid: 1 mmol of 4-acetylbenzoic acid was dissolved in 10 mL of acetic acid (AcOH). Subsequently, 1 equivalent of bromine was dissolved in 10 mL of acetic acid (AcOH) and added dropwise to the reaction mixture. The reaction mixture was stirred at room temperature for 4 hours. After completion of the reaction, the solvent was evaporated to dryness. The product was purified by normal phase column chromatography using a gradient increasing dichloromethane solution of methanol as eluent. | [References]
[1] Journal of the American Chemical Society, 2000, vol. 122, # 39, p. 9361 - 9366
[2] European Journal of Medicinal Chemistry, 2014, vol. 77, p. 361 - 377
[3] Russian Journal of Applied Chemistry, 2007, vol. 80, # 4, p. 571 - 575
[4] Bioorganic and Medicinal Chemistry, 1997, vol. 5, # 3, p. 601 - 621
[5] Journal of Medicinal Chemistry, 2005, vol. 48, # 24, p. 7520 - 7534 |
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