CAS 736136-67-7

trans-4-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Trans-4-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, including a cyclohexane ring and a carboxylic acid functional group. The presence of a nitrophenyl group indicates that it has significant electron-withdrawing properties, which can influence its reactivity and interactions with other molecules. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic cyclohexane structure, while the carboxylic acid group may impart some degree of polarity. This compound may also participate in various chemical reactions, such as esterification or amidation, due to the reactive carboxylic acid moiety. Additionally, the trans configuration suggests specific stereochemical properties that can affect its biological activity and pharmacokinetics. Overall, trans-4-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is of interest in medicinal chemistry and materials science, potentially serving as a precursor or intermediate in the synthesis of more complex molecules.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(11-5-7-13(8-6-11)16(20)21)9-10-1-3-12(4-2-10)15(18)19/h5-8,10,12H,1-4,9H2,(H,18,19)/t10-,12-

InChI key: InChIKey=HUXYVLZRNKGAMY-UMSPYCQHNA-N

SMILES: C(C[C@H]1CC[C@H](C(O)=O)CC1)(=O)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• trans-4-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 4-[2-(4-nitrophenyl)-2-oxoethyl]-, trans-