CAS 735269-82-6

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

Description:

Rel-(1R,3S)-3-(2,3-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 2,3-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 bulky dimethylbenzoyl group may influence its solubility and reactivity. The stereochemistry of the molecule can affect its biological activity and interactions with other substances, making it of interest in pharmaceutical applications. Additionally, the compound's molecular structure may lead to specific conformational preferences, impacting its physical properties such as melting point and boiling point. Overall, rel-(1R,3S)-3-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid exemplifies the complexity of organic compounds where stereochemistry plays a crucial role in determining functionality and reactivity.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-5-3-8-14(11(10)2)15(17)12-6-4-7-13(9-12)16(18)19/h3,5,8,12-13H,4,6-7,9H2,1-2H3,(H,18,19)/t12-,13+/s2

InChI key: InChIKey=VSIROZWYBMANRX-QWAQRTLVNA-N

SMILES: C(=O)(C1=C(C)C(C)=CC=C1)[C@H]2C[C@@H](C(O)=O)CCC2

Synonyms:

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