CAS 733740-79-9

rel-(1R,2R)-2-(2-Methylbenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2R)-2-(2-Methylbenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a 2-methylbenzoyl group and a carboxylic acid functional group. This compound exhibits stereochemistry, specifically the (1R,2R) configuration, indicating the spatial arrangement of its atoms, which is crucial for its biological activity and interactions. The presence of the carboxylic acid group contributes to its acidity and potential reactivity, while the aromatic 2-methylbenzoyl moiety may influence its solubility and interaction with other molecules. Such compounds are often studied for their potential applications in pharmaceuticals, as their unique structural features can lead to specific biological activities. The compound's CAS number, 733740-79-9, serves as a unique identifier, facilitating its identification in chemical databases and literature. Overall, the characteristics of this compound make it of interest in various fields, including medicinal chemistry and materials science.

Formula: C₁₄H₁₆O₃

InChI: InChI=1/C14H16O3/c1-9-5-2-3-6-10(9)13(15)11-7-4-8-12(11)14(16)17/h2-3,5-6,11-12H,4,7-8H2,1H3,(H,16,17)/t11-,12-/s2

InChI key: InChIKey=JCFJOOWFROHYMP-XXCBQWOANA-N

SMILES: C(=O)([C@H]1[C@H](C(O)=O)CCC1)C2=C(C)C=CC=C2

Synonyms:

• Cyclopentanecarboxylic acid, 2-(2-methylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(2-Methylbenzoyl)cyclopentanecarboxylic acid