CAS 733740-63-1

rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclopentanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclopentanecarboxylic acid, identified by its CAS number 733740-63-1, is a chemical compound characterized by its cyclopentane structure, which features a carboxylic acid functional group. The compound exhibits chirality, with specific stereochemistry denoted by the (1R,2S) configuration, indicating the spatial arrangement of its atoms. The presence of a 3-chlorophenyl group and a keto group (2-oxo) contributes to its unique reactivity and potential biological activity. This compound may be of interest in medicinal chemistry due to its structural features, which could influence its interaction with biological targets. Additionally, the chlorophenyl moiety may enhance lipophilicity, affecting its pharmacokinetic properties. As with many organic compounds, its solubility, stability, and reactivity can vary based on environmental conditions such as pH and temperature. Overall, this compound represents a specific class of organic acids that may have applications in pharmaceuticals or agrochemicals, warranting further investigation into its properties and potential uses.

Formula: C₁₄H₁₅ClO₃

InChI: InChI=1/C14H15ClO3/c15-11-5-1-4-10(7-11)13(16)8-9-3-2-6-12(9)14(17)18/h1,4-5,7,9,12H,2-3,6,8H2,(H,17,18)/t9-,12+/s2

InChI key: InChIKey=BMKCNNOEUWPEAM-JVMLCUHDNA-N

SMILES: C(C(=O)C1=CC(Cl)=CC=C1)[C@H]2[C@H](C(O)=O)CCC2

Synonyms:

• Cyclopentanecarboxylic acid, 2-[2-(3-chlorophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclopentanecarboxylic acid