CAS 735269-83-7

rel-(1R,3S)-3-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-(2,4-Dimethylbenzoyl)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 2,4-dimethylbenzoyl moiety, contributing to its unique chemical properties. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the aromatic dimethylbenzoyl group may influence its solubility and reactivity. The compound's chirality can lead to different biological activities depending on the stereoisomer, making it of interest in pharmaceutical applications. Additionally, its molecular structure may exhibit specific interactions with biological targets, potentially affecting its pharmacokinetics and pharmacodynamics. Overall, this compound's characteristics, including its stereochemistry, functional groups, and structural features, make it a subject of interest in organic chemistry and medicinal chemistry research.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-6-7-14(11(2)8-10)15(17)12-4-3-5-13(9-12)16(18)19/h6-8,12-13H,3-5,9H2,1-2H3,(H,18,19)/t12-,13+/s2

InChI key: InChIKey=HLTVLHNGJQWHMI-QWAQRTLVNA-N

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

Synonyms:

• rel-(1R,3S)-3-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-(2,4-dimethylbenzoyl)-, (1R,3S)-rel-