CAS 735274-67-6

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

Description:

Rel-(1R,2R)-2-[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 effects, influencing its reactivity and interactions with other molecules. The oxoethyl moiety suggests that it 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 biological activity or as a precursor in synthetic pathways. Its stereochemistry, denoted by the (1R,2R) configuration, implies specific spatial arrangements that can affect its interaction with biological targets. Overall, this compound's unique structure and functional groups make it a candidate for further investigation in chemical and pharmaceutical research.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(11-5-3-6-12(8-11)16(20)21)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=MAUMNNKUSFXYAU-RLQDDWLSNA-N

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

Synonyms:

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