CAS 735275-44-2

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

Description:

Rel-(1R,3S)-3-[2-(3-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 nitrophenyl group indicates that the compound may exhibit significant electronic properties, potentially influencing its reactivity and interactions with biological systems. The oxoethyl substituent 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, which could be relevant for drug design or as a biochemical probe. Its specific stereochemistry (1R,3S) may also play a crucial role in determining its biological activity and pharmacokinetics. Overall, the unique combination of functional groups and stereochemistry makes this compound a subject of interest for further research in organic and medicinal chemistry.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(11-4-2-6-13(9-11)16(20)21)8-10-3-1-5-12(7-10)15(18)19/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,18,19)/t10-,12+/m0/s1

InChI key: InChIKey=DUHMXOBTXXLZLS-XWJGPBAUNA-N

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

Synonyms:

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