CAS 735269-86-0

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

Description:

Rel-(1R,3S)-3-(3,4-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 3,4-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 enhance its hydrophobic characteristics and influence its solubility in organic solvents. The stereochemistry of the molecule can significantly affect its biological activity and interactions with other molecules, making it of interest in pharmaceutical applications. Additionally, the compound's molecular structure may lead to specific conformational preferences, impacting its reactivity and stability. Overall, rel-(1R,3S)-3-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid exemplifies the complexity and diversity of organic compounds, particularly in the context of drug design and development.

Formula: C₁₆H₂₀O₃

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

InChI key: InChIKey=KNISYZCYLQJZLB-XGJSPVFONA-N

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

Synonyms:

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