CAS 733742-80-8

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

Description:

Rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2R) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a 2,3-dimethylbenzoyl moiety, which contributes to its unique physical and chemical properties. The presence of the carboxylic acid functional group suggests that it can participate in hydrogen bonding, influencing its solubility and reactivity. The dimethylbenzoyl group adds to the compound's hydrophobic character, potentially affecting its interactions in biological systems. This compound may exhibit interesting pharmacological properties due to its chirality, which can influence its biological activity and interactions with enzymes or receptors. Additionally, the structural complexity may allow for various synthetic applications in organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Overall, rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid is a notable compound for its stereochemical specificity and potential utility in various chemical applications.

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