CAS 85603-45-8

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

Description:

Rel-(1R,2S)-2-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid, with the CAS number 85603-45-8, is a chiral compound characterized by its specific stereochemistry, which plays a crucial role in its chemical behavior and potential applications. This substance features a cyclohexane ring substituted with a carboxylic acid group and a 2,5-dimethylbenzoyl moiety, contributing to its unique physical and chemical properties. The presence of the carboxylic acid group indicates that it can participate in acid-base reactions, while the aromatic dimethylbenzoyl group may influence its solubility and reactivity. The compound's chirality suggests that it may exhibit different biological activities depending on its stereoisomer, making it of interest in pharmaceutical and agrochemical research. Additionally, its structural features may allow for interactions with various biological targets, potentially leading to applications in drug development or as a synthetic intermediate in organic chemistry. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those with stereochemical significance.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-7-8-11(2)14(9-10)15(17)12-5-3-4-6-13(12)16(18)19/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)/t12-,13+/s2

InChI key: InChIKey=DJWXJQQNNQJGSC-QWAQRTLVNA-N

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

Synonyms:

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