CAS 735274-68-7

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

Description:

Rel-(1R,2R)-2-[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 acidic properties. The presence of a 4-nitrophenyl group indicates that the compound has significant aromatic characteristics, which can influence its reactivity and interaction with biological systems. The oxoethyl substituent introduces a carbonyl group, enhancing the compound's potential for various chemical reactions, such as nucleophilic attacks. This compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to its hydrophobic cyclohexane structure. Its stereochemistry (1R,2R) suggests specific spatial arrangements that can affect its biological activity and pharmacokinetics. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly in the context of designing compounds with specific biological targets or therapeutic effects.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(10-5-7-12(8-6-10)16(20)21)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13-/s2

InChI key: InChIKey=ZBGLYSOHRIXRFD-BJBPJPDTNA-N

SMILES: C(O)(=O)[C@@H]1[C@H](CC(=O)C2=CC=C(N(=O)=O)C=C2)CCCC1

Synonyms:

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