CAS 735269-85-9

rel-(1R,3S)-3-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,3S) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a 2,6-dimethylbenzoyl moiety, which contributes to its unique physical and chemical properties. The presence of the bulky dimethylbenzoyl group can influence its solubility, melting point, and reactivity, making it potentially useful in various applications, including pharmaceuticals and organic synthesis. The compound's chirality may also play a significant role in its biological activity, as enantiomers can exhibit different behaviors in biological systems. Additionally, the CAS number 735269-85-9 allows for easy identification and reference in chemical databases. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those with stereochemical significance.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-5-3-6-11(2)14(10)15(17)12-7-4-8-13(9-12)16(18)19/h3,5-6,12-13H,4,7-9H2,1-2H3,(H,18,19)/t12-,13+/s2

InChI key: InChIKey=IDPABNFIIZHOJO-QWAQRTLVNA-N

SMILES: C(=O)(C1=C(C)C=CC=C1C)[C@H]2C[C@@H](C(O)=O)CCC2

Synonyms:

• rel-(1R,3S)-3-(2,6-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-(2,6-dimethylbenzoyl)-, (1R,3S)-rel-