CAS 733742-71-7

rel-(1R,2R)-2-(3-Methylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2R)-2-(3-Methylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a 3-methylbenzoyl moiety. The presence of the chiral centers at the 1 and 2 positions of the cyclohexane ring imparts specific stereochemical properties, influencing its reactivity and interactions with biological systems. This compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to the hydrophobic nature of the cyclohexane and aromatic components. Its potential applications could span pharmaceuticals, where it may serve as an intermediate or active ingredient, particularly in the synthesis of chiral drugs. The compound's stereochemistry is crucial for its biological activity, as different enantiomers can exhibit significantly different pharmacological effects. Safety and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with its use in laboratory or industrial settings.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,17,18)/t12-,13-/s2

InChI key: InChIKey=QSSIEUMRWFFUAB-NVHKGDCHNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-(3-methylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(3-Methylbenzoyl)cyclohexanecarboxylic acid