CAS 733742-67-1

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

Description:

Rel-(1R,2S)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2S) 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 aromatic dimethylbenzoyl group may impart hydrophobic characteristics and influence the compound's solubility and reactivity. The stereochemistry of the molecule is crucial for its biological activity and interactions, making it relevant in fields such as pharmaceuticals and organic synthesis. Additionally, the compound's molecular structure allows for potential applications in asymmetric synthesis and as a chiral auxiliary. Its CAS number, 733742-67-1, provides a unique identifier for regulatory and research purposes, facilitating its study and application in various chemical contexts.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-6-5-9-12(11(10)2)15(17)13-7-3-4-8-14(13)16(18)19/h5-6,9,13-14H,3-4,7-8H2,1-2H3,(H,18,19)/t13-,14+/s2

InChI key: InChIKey=KXDFPUOTMLTPRU-DUXBJXIBNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCCC1)C2=C(C)C(C)=CC=C2

Synonyms:

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