CAS 733742-69-3

rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-(3,5-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 3,5-dimethylbenzoyl moiety, which contributes to its unique properties. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The bulky dimethylbenzoyl group can influence the compound's steric hindrance and overall reactivity, potentially affecting its interactions in biological systems or chemical reactions. Additionally, the stereochemistry may play a crucial role in its biological activity, as many chiral compounds exhibit different behaviors based on their spatial arrangement. This compound is of interest in fields such as medicinal chemistry and materials science, where its specific structural features can be leveraged for various applications.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-7-11(2)9-12(8-10)15(17)13-5-3-4-6-14(13)16(18)19/h7-9,13-14H,3-6H2,1-2H3,(H,18,19)/t13-,14+/s2

InChI key: InChIKey=GCQWXCCUUDOPHV-DUXBJXIBNA-N

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

Synonyms:

• (1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-(3,5-dimethylbenzoyl)-, (1R,2S)-rel-
• rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid