CAS 733742-72-8

rel-(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a methoxybenzoyl group and a carboxylic acid functional group. The presence of the methoxy group enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. The specific stereochemistry indicated by the (1R,2R) configuration suggests that the compound exhibits optical activity, which can be crucial for its interaction with biological targets, such as enzymes or receptors. This compound may be of interest in pharmaceutical research, particularly in the development of drugs that require specific stereochemical configurations for efficacy. Additionally, its carboxylic acid group can participate in various chemical reactions, including esterification and amidation, making it versatile for further synthetic modifications. Overall, the unique structural features and stereochemistry of this compound contribute to its potential applications in medicinal chemistry and material science.

Formula: C₁₅H₁₈O₄

InChI: InChI=1/C15H18O4/c1-19-13-9-5-4-8-12(13)14(16)10-6-2-3-7-11(10)15(17)18/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/t10-,11-/s2

InChI key: InChIKey=YMKNKDVVOXIHBR-DUJBIPCPNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-(2-methoxybenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(2-Methoxybenzoyl)cyclohexanecarboxylic acid