CAS 735275-45-3

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

Description:

Rel-(1R,3S)-3-[2-(4-Nitrophenyl)-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 a 4-nitrophenyl group indicates that it has significant electron-withdrawing characteristics, which can influence its chemical behavior and interactions. The oxoethyl moiety suggests that the compound may participate in various chemical reactions, including nucleophilic attacks or condensation reactions. This compound may be of interest in medicinal chemistry due to its structural features that could be relevant for biological activity. Its stereochemistry, denoted by the (1R,3S) configuration, implies that it may exhibit specific spatial arrangements that can affect its pharmacokinetics and pharmacodynamics. Overall, this compound's unique structure and functional groups make it a candidate for further research in various chemical and biological applications.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(11-4-6-13(7-5-11)16(20)21)9-10-2-1-3-12(8-10)15(18)19/h4-7,10,12H,1-3,8-9H2,(H,18,19)/t10-,12+/s2

InChI key: InChIKey=OUMGDKNJBOQXND-XWJGPBAUNA-N

SMILES: C(C(=O)C1=CC=C(N(=O)=O)C=C1)[C@H]2C[C@@H](C(O)=O)CCC2

Synonyms:

• rel-(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-[2-(4-nitrophenyl)-2-oxoethyl]-, (1R,3S)-rel-