CAS 735274-70-1

(1R,2S)-2-[2-(o-tolyl)-2-oxo-ethyl]cyclohexane-1-carboxylic acid

Description:

The chemical substance known as (1R,2S)-2-[2-(o-tolyl)-2-oxo-ethyl]cyclohexane-1-carboxylic acid, with the CAS number 735274-70-1, is characterized by its specific stereochemistry, indicated by the (1R,2S) configuration. This compound features a cyclohexane ring, which contributes to its rigidity and three-dimensional structure, along with a carboxylic acid functional group that imparts acidic properties. The presence of the o-tolyl group suggests that the compound has aromatic characteristics, which can influence its reactivity and interactions with other molecules. The ketone functionality (2-oxo) indicates potential for further chemical transformations. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its solubility, stability, and reactivity can vary based on environmental conditions such as pH and temperature. Overall, the unique combination of functional groups and stereochemistry makes this compound a subject of interest in organic chemistry and medicinal chemistry applications.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-11-6-2-4-8-13(11)15(17)10-12-7-3-5-9-14(12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m0/s1

InChI key: InChIKey=ICLZGZSRHXXNBG-XGJSPVFONA-N

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