CAS 735269-70-2

rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,3S) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a 4-methylbenzoyl moiety, contributing to its unique chemical properties. The presence of the carboxylic acid functional group imparts acidic characteristics, allowing it to participate in various chemical reactions, such as esterification and amidation. The 4-methylbenzoyl group enhances the compound's hydrophobicity and may influence its solubility and reactivity in organic solvents. Additionally, the stereochemistry plays a crucial role in determining the compound's biological activity and interaction with other molecules, making it of interest in pharmaceutical applications. The compound's CAS number, 735269-70-2, serves as a unique identifier for regulatory and research purposes. Overall, this substance exemplifies the complexity and diversity of organic compounds, particularly in the context of drug design and development.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(9-12)15(17)18/h5-8,12-13H,2-4,9H2,1H3,(H,17,18)/t12-,13+/s2

InChI key: InChIKey=XBWWIAPCTRNLKX-QWAQRTLVNA-N

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

Synonyms:

• rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-(4-methylbenzoyl)-, (1R,3S)-rel-