CAS 735275-08-8

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

Description:

Rel-(1R,3S)-3-[2-(2-Methoxyphenyl)-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 the 2-(2-methoxyphenyl)-2-oxoethyl substituent indicates that it has both aromatic and carbonyl functionalities, which can influence its chemical behavior, including its ability to participate in various reactions such as esterification or amidation. The stereochemical configuration (1R,3S) suggests that the compound has specific spatial arrangements that may affect its biological activity and interactions with other molecules. This compound may be of interest in pharmaceutical research due to its potential therapeutic properties, although specific biological activities would require further investigation. Overall, its unique structure and functional groups make it a compound of interest in organic and medicinal chemistry.

Formula: C₁₆H₂₀O₄

InChI: InChI=1/C16H20O4/c1-20-15-8-3-2-7-13(15)14(17)10-11-5-4-6-12(9-11)16(18)19/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,18,19)/t11-,12+/s2

InChI key: InChIKey=GFMAWZSSKWVZJE-WEUYFXHZNA-N

SMILES: C(C[C@H]1C[C@@H](C(O)=O)CCC1)(=O)C2=C(OC)C=CC=C2

Synonyms:

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