CAS 733742-78-4

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

Description:

Rel-(1R,2R)-2-(3-Chlorobenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a 3-chlorobenzoyl group and a carboxylic acid functional group. The presence of the chiral centers at the 1 and 2 positions of the cyclohexane ring imparts specific stereochemical properties, influencing its reactivity and interactions with biological systems. This compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the polarity of the solvent. The chlorobenzoyl moiety contributes to its potential biological activity, as halogenated aromatic compounds often exhibit unique pharmacological properties. The carboxylic acid group can participate in hydrogen bonding and may affect the compound's acidity and solubility in aqueous environments. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals.

Formula: C₁₄H₁₅ClO₃

InChI: InChI=1/C14H15ClO3/c15-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)14(17)18/h3-5,8,11-12H,1-2,6-7H2,(H,17,18)/t11-,12-/s2

InChI key: InChIKey=NSALXIWKYUKRPY-XXCBQWOANA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-(3-chlorobenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(3-Chlorobenzoyl)cyclohexanecarboxylic acid