CAS 733742-81-9

rel-(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a dimethylbenzoyl moiety. The presence of the two methyl groups on the benzoyl ring contributes to its steric and electronic properties, influencing its reactivity and interactions with other molecules. This compound exhibits specific stereochemistry, indicated by the (1R,2R) configuration, which is crucial for its biological activity and potential applications in pharmaceuticals. The carboxylic acid functional group imparts acidic properties, allowing for hydrogen bonding and solubility in polar solvents. Additionally, the compound may exhibit unique optical activity due to its chiral centers, making it of interest in asymmetric synthesis and drug development. Its CAS number, 733742-81-9, allows for easy identification and retrieval of information regarding its safety, handling, and regulatory status in chemical databases. Overall, this compound's structural features suggest potential utility in various chemical and medicinal applications.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-7-8-12(11(2)9-10)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=LOMSWNKAZFZYCV-ZCWZLOQUNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-(2,4-dimethylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(2,4-Dimethylbenzoyl)cyclohexanecarboxylic acid