CAS 733740-85-7

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

Description:

Rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane structure, which features a carboxylic acid functional group and a cyanobenzoyl substituent. The presence of the chiral centers at the 1 and 2 positions of the cyclopentane ring contributes to its stereochemical properties, making it optically active. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its cyanobenzoyl group enhances its reactivity and potential applications in various chemical reactions, including coupling reactions and as a building block for more complex molecules. The carboxylic acid group provides acidic properties, allowing for potential interactions in biological systems or catalysis. The compound's specific solubility, melting point, and other physical properties would depend on its purity and the conditions under which it is handled. Overall, rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid is a versatile compound with significant implications in synthetic organic chemistry.

Formula: C₁₄H₁₃NO₃

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

InChI key: InChIKey=ZFLWCWLNGYIOGT-XXCBQWOANA-N

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

Synonyms:

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