CAS 735274-92-7

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

Description:

Rel-(1R,2S)-2-[2-(2-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring substituted with a carboxylic acid group and an oxoethyl side chain that includes a bromophenyl moiety. The presence of the bromine atom in the phenyl ring contributes to the compound's reactivity and potential biological activity. The stereochemical configuration, indicated by the (1R,2S) notation, suggests that the compound has specific spatial arrangements that can influence its interactions with biological targets, making it of interest in medicinal chemistry. This compound may exhibit properties such as solubility in organic solvents and varying degrees of acidity due to the carboxylic acid group. Its unique structure may also allow for specific binding interactions in biological systems, which could be relevant for drug development or other applications in pharmaceuticals. Overall, the compound's characteristics are defined by its molecular structure, functional groups, and stereochemistry, which collectively influence its chemical behavior and potential uses.

Formula: C₁₅H₁₇BrO₃

InChI: InChI=1/C15H17BrO3/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,19)/t10-,11+/s2

InChI key: InChIKey=GBKPVVHPQQKNTI-WIBLRKLZNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(2-bromophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(2-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid