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ChemicalBook--->CAS DataBase List--->7099-87-8

7099-87-8

7099-87-8 Structure

7099-87-8 Structure
IdentificationBack Directory
[Name]

2-(4-Bromophenyl)-2-oxoacetic acid
[CAS]

7099-87-8
[Synonyms]

2-(4-Bromophenyl)-2-oxoacetic acid
Benzeneacetic acid, 4-bromo-α-oxo-
[Molecular Formula]

C8H5BrO3
[MOL File]

7099-87-8.mol
[Molecular Weight]

229.03
Chemical PropertiesBack Directory
[Melting point ]

89 °C
[Boiling point ]

152-155 °C(Press: 3 Torr)
[density ]

1.738±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.03±0.54(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H302-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-Bromophenyl)-2-oxoacetic acid(7099-87-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(4-BROMO-PHENYL)-2-[2-(4-BROMO-PHENYL)-2-OXO-ETHYLSULFANYL]-ETHANONE

58881-56-4

2-(4-Bromophenyl)-2-oxoacetic acid

7099-87-8

The general procedure for the synthesis of 2-(4-bromophenyl)-2-oxoacetic acid from the compound (CAS: 58881-56-4) was as follows: selenium dioxide (1.5 mmol) was dissolved in 1,4-dioxane (10.0 mL) and the solution was transferred to a 50 mL round bottom flask. Subsequently, dibenzoyl sulfide derivative 1 (0.5 mmol) was added to the solution and the reaction mixture was heated to reflux for 2 hours. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was filtered to remove insoluble impurities and the solvent was subsequently evaporated under reduced pressure. The crude product was purified by column chromatography using a solvent mixture of petroleum ether and ethyl acetate (90:10, v/v) as eluent to give the final target product 2-(4-bromophenyl)-2-oxoacetic acid.

[References]

[1] Journal of Sulfur Chemistry, 2014, vol. 35, # 1, p. 24 - 30
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