CAS 733742-84-2

rel-(1R,2R)-2-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2R)-2-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a dimethylbenzoyl moiety. This compound exhibits specific stereochemistry, indicated by the (1R,2R) configuration, which influences its physical and chemical properties, including its reactivity and interaction with biological systems. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the aromatic dimethylbenzoyl group may contribute to its hydrophobic characteristics and potential for π-π stacking interactions. The compound's molecular structure allows for various applications in organic synthesis and pharmaceutical development, particularly in the design of chiral intermediates or active pharmaceutical ingredients. Its unique combination of functional groups and stereochemistry makes it a subject of interest in both synthetic and medicinal chemistry. As with many organic compounds, its solubility, melting point, and stability can vary based on environmental conditions and the presence of solvents.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h7-9,13-14H,3-6H2,1-2H3,(H,18,19)/t13-,14-/s2

InChI key: InChIKey=UBXZSNPWWNXBLU-ZCWZLOQUNA-N

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

Synonyms:

• rel-(1R,2R)-2-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-(3,4-dimethylbenzoyl)-, (1R,2R)-rel-