CAS 733741-06-5

rel-(1R,2R)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid

Description:

Rel-(1R,2R)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a 4-fluorobenzoyl group and a carboxylic acid functional group. The presence of the fluorine atom in the aromatic ring can influence the compound's electronic properties and reactivity, potentially enhancing its biological activity. The specific stereochemistry indicated by the (1R,2R) configuration suggests that the compound exhibits optical activity, which is significant in pharmaceutical applications where chirality can affect the efficacy and safety of drugs. This compound may be utilized in various chemical syntheses or as an intermediate in the development of biologically active molecules. Its solubility, melting point, and other physical properties would depend on the specific interactions of the functional groups and the overall molecular structure. As with many carboxylic acids, it is likely to exhibit acidic behavior in solution, contributing to its reactivity in organic synthesis.

Formula: C₁₃H₁₃FO₃

InChI: InChI=1/C13H13FO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-11H,1-3H2,(H,16,17)/t10-,11-/m1/s1

InChI key: InChIKey=NHQQJKKAHSUBRB-DUJBIPCPNA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-(4-fluorobenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(4-Fluorobenzoyl)cyclopentanecarboxylic acid