CAS 733741-12-3

rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and a dimethylbenzoyl moiety. This compound exhibits specific stereochemistry, denoted by the (1R,2R) configuration, indicating the spatial arrangement of its substituents around the chiral centers. The presence of the carboxylic acid functional group contributes to its acidity and potential reactivity, while the dimethylbenzoyl group enhances its hydrophobic characteristics and may influence its interactions in biological systems. The compound is likely to be solid at room temperature, with potential applications in pharmaceuticals or as a building block in organic synthesis due to its unique structural features. Its chiral nature may also make it relevant in studies of stereochemistry and enantioselectivity in chemical reactions. As with many organic compounds, its solubility, melting point, and other physical properties would depend on the specific conditions and solvents used.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-9-5-3-6-11(10(9)2)14(16)12-7-4-8-13(12)15(17)18/h3,5-6,12-13H,4,7-8H2,1-2H3,(H,17,18)/t12-,13-/m1/s1

InChI key: InChIKey=FQEGSIOKFYJWIQ-NVHKGDCHNA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-(2,3-dimethylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclopentanecarboxylic acid