CAS 735275-15-7

rel-(1R,3S)-3-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of the 4-bromophenyl group indicates that the compound has significant aromatic characteristics, which can influence its electronic properties and interactions. The oxoethyl substituent introduces a carbonyl group, enhancing the compound's potential for various chemical reactions, such as nucleophilic attacks or condensation reactions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its stereochemistry, indicated by the (1R,3S) configuration, suggests that it may have specific interactions with biological targets, which can be crucial for its efficacy and safety in medicinal applications. Overall, the combination of these structural features contributes to the compound's unique chemical behavior and potential applications in various fields, including medicinal chemistry and organic synthesis.

Formula: C₁₅H₁₇BrO₃

InChI: InChI=1/C15H17BrO3/c16-13-6-4-11(5-7-13)14(17)9-10-2-1-3-12(8-10)15(18)19/h4-7,10,12H,1-3,8-9H2,(H,18,19)/t10-,12+/m0/s1

InChI key: InChIKey=WVEXAXHAJBDHPX-XWJGPBAUNA-N

SMILES: C(C[C@H]1C[C@@H](C(O)=O)CCC1)(=O)C2=CC=C(Br)C=C2

Synonyms:

• Cyclohexanecarboxylic acid, 3-[2-(4-bromophenyl)-2-oxoethyl]-, (1R,3S)-rel-
• rel-(1R,3S)-3-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• (1S,3R)-3-(2-(4-bromophenyl)-2-oxoethyl)cyclohexane-1-carboxylic acid
• CIS-3-[2-(4-BROMOPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID