CAS 52240-20-7

(2R)-4-(4-chlorophenyl)-2-methyl-4-oxobutanoate

Description:

The chemical substance known as (2R)-4-(4-chlorophenyl)-2-methyl-4-oxobutanoate, with the CAS number 52240-20-7, is an organic compound characterized by its specific stereochemistry and functional groups. It features a butanoate backbone with a ketone group at the 4-position and a chlorophenyl substituent at the 4-position, contributing to its aromatic properties. The presence of the methyl group at the 2-position and the chiral center at the 2R configuration indicates that this compound can exhibit optical activity. This compound is likely to be soluble in organic solvents due to its hydrophobic aromatic ring, while its butanoate moiety may impart some degree of polarity. The chlorophenyl group may enhance its biological activity, making it of interest in pharmaceutical applications. Additionally, the compound's structure suggests potential reactivity in various chemical reactions, including esterification and nucleophilic substitutions, which can be explored in synthetic organic chemistry. Overall, this compound's unique structural features make it a subject of interest in both research and industrial applications.

Formula: C₁₁H₁₀ClO₃

InChI: InChI=1/C11H11ClO3/c1-7(11(14)15)6-10(13)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)/p-1/t7-/m1/s1

SMILES: C[C@H](CC(=O)c1ccc(cc1)Cl)C(=O)[O-]

4-(4-Chlorophenyl)-2-methyl-4-oxobutanoic acid

CAS: 52240-20-7

Formula: C₁₁H₁₁ClO₃

Molecular weight: 226.6562

Ref: IN-DA00DD21

4-(4-Chlorophenyl)-2-methyl-4-oxobutanoic acid

CAS: 52240-20-7

4-(4-Chlorophenyl)-2-methyl-4-oxobutanoic acid is a monoclinic crystalline compound that is stabilized by hydrogen bonds. The molecules of this compound are arranged in a linear fashion and form dimers through the formation of hydrogen bonds. The molecule has a conformation that resembles the geometry of triclinic crystals, but it crystallizes in the monoclinic system. The photocyclization reaction can be induced by UV light and converts 4-(4-chlorophenyl)-2-methyl-4-oxobutanoic acid to its photochemically active form.

Formula: C₁₁H₁₁ClO₃

Purity: Min. 95%

Molecular weight: 226.65 g/mol

Ref: 3D-CCA24020