ChemicalBook--->CAS DataBase List--->20099-90-5

20099-90-5

20099-90-5 Structure

20099-90-5 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H318
[Precautionary statements ]

P280-P305+P351+P338-P310
[RIDADR ]

1759
[HazardClass ]

8
[PackingGroup ]

Ⅲ
[HS Code ]

2918290090
Hazard InformationBack Directory
[Uses]

A phenacyl bromide
[Synthesis]

4-Acetylbenzoic acid

586-89-0

4-(2-Bromo-acetyl)-benzoic acid

20099-90-5

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-Bromo-acetyl)-benzoic acid(20099-90-5)1HNMR
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