CAS 733740-86-8

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

Description:

Rel-(1R,2R)-2-(3-Cyanobenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and a 3-cyanobenzoyl moiety. The presence of the cyanobenzoyl group introduces both aromatic characteristics and a cyano functional group, which can influence the compound's reactivity and solubility. The specific stereochemistry indicated by the (1R,2R) configuration suggests that the compound exhibits optical activity, making it relevant in applications where chirality is crucial, such as in pharmaceuticals. The carboxylic acid functional group contributes to the compound's acidity and potential for forming hydrogen bonds, which can affect its interactions in biological systems or during synthesis. Additionally, the compound's molecular structure may impart unique physical properties, such as melting point and solubility in various solvents, which are important for its practical applications in research and industry. Overall, this compound's unique structural features make it a subject of interest in organic synthesis and medicinal chemistry.

Formula: C₁₄H₁₃NO₃

InChI: InChI=1/C14H13NO3/c15-8-9-3-1-4-10(7-9)13(16)11-5-2-6-12(11)14(17)18/h1,3-4,7,11-12H,2,5-6H2,(H,17,18)/t11-,12-/s2

InChI key: InChIKey=KFDRXXPMKDARCE-XXCBQWOANA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-(3-cyanobenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(3-Cyanobenzoyl)cyclopentanecarboxylic acid