CAS 735274-89-2

rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with the CAS number 735274-89-2, is a chemical compound characterized by its cyclohexane backbone, which is substituted with a carboxylic acid group and a 3-chlorophenyl moiety. This compound features a specific stereochemistry, indicated by the (1R,2S) configuration, which plays a crucial role in its biological activity and interactions. The presence of the 3-chlorophenyl group suggests potential applications in medicinal chemistry, as halogenated phenyl groups are often associated with enhanced pharmacological properties. The oxoethyl substituent contributes to the compound's reactivity and may influence its solubility and stability. As a carboxylic acid, it can participate in various chemical reactions, including esterification and acid-base reactions. Overall, the unique structural features of this compound may render it of interest in research and development, particularly in the fields of pharmaceuticals and organic synthesis.

Formula: C₁₅H₁₇ClO₃

InChI: InChI=1/C15H17ClO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13+/s2

InChI key: InChIKey=VUDOUWMBJSNIEY-KQKSKQCLNA-N

SMILES: C(C(=O)C1=CC(Cl)=CC=C1)[C@H]2[C@H](C(O)=O)CCCC2

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(3-chlorophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid