CAS 733740-81-3

rel-(1R,2R)-2-(4-Methylbenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2R)-2-(4-Methylbenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and a 4-methylbenzoyl moiety. The presence of the chiral centers at the 1 and 2 positions of the cyclopentane ring imparts specific stereochemical properties, influencing its reactivity and interactions in biological systems. This compound is typically utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its solubility and stability can vary depending on the solvent and environmental conditions, which are important factors in its application. The compound's molecular structure suggests potential for hydrogen bonding due to the carboxylic acid group, which can affect its physical properties such as melting point and boiling point. Additionally, the presence of the aromatic 4-methylbenzoyl group may contribute to its electronic properties, making it a candidate for various chemical reactions, including acylation and esterification.

Formula: C₁₄H₁₆O₃

InChI: InChI=1/C14H16O3/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14(16)17/h5-8,11-12H,2-4H2,1H3,(H,16,17)/t11-,12-/s2

InChI key: InChIKey=VWUABZLEGQFYQH-XXCBQWOANA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-(4-methylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(4-Methylbenzoyl)cyclopentanecarboxylic acid