ChemicalBook--->CAS DataBase List--->1771-65-9

1771-65-9

1771-65-9 Structure

1771-65-9 Structure
IdentificationBack Directory
[Name]

2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID
[CAS]

1771-65-9
[Synonyms]

2-Methyl-3-benzoylpropionic acid
α-Methyl-γ-oxobenzenebutyric acid
2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID
2-methyl-4-oxo-4-phenylbutanoic acid
2-methyl-4-oxo-4-phenyl-butanoic acid
4-keto-2-methyl-4-phenyl-butyric acid
Benzenebutanoic acid, α-methyl-γ-oxo-
2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID 98%
[Molecular Formula]

C11H12O3
[MDL Number]

MFCD00192311
[MOL File]

1771-65-9.mol
[Molecular Weight]

192.21
Chemical PropertiesBack Directory
[Melting point ]

140-142 °C(lit.)
[Boiling point ]

360.9±25.0 °C(Predicted)
[density ]

1.161±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.57±0.23(Predicted)
[color ]

White to Off-White
[InChI]

1S/C11H12O3/c1-8(11(13)14)7-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14)
[InChIKey]

ICXWGAZLLKCSAT-UHFFFAOYSA-N
[SMILES]

CC(CC(=O)c1ccccc1)C(O)=O
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Methyl-4-oxo-4-phenylbutyric Acid is a chemical reagent used in the synthesis of various pharmaceutically active compounds. Used in the synthesis of Minozac, a suppressor of brain proinflammatory cytokine up-regulation.
[General Description]

2-Methyl-4-oxo-4-phenylbutyric acid is a butyric acid derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID(1771-65-9)MS
2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID(1771-65-9)IR1
2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID(1771-65-9)Raman
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