CAS 733741-08-7

rel-(1R,2R)-2-[2-(1-Methylethyl)benzoyl]cyclopentanecarboxylic acid

Description:

Rel-(1R,2R)-2-[2-(1-Methylethyl)benzoyl]cyclopentanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2R) configuration. This compound features a cyclopentane ring substituted with a carboxylic acid group and a benzoyl moiety that includes an isopropyl group. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The stereochemistry of the compound can influence its biological activity, making it potentially relevant in pharmaceutical applications. Additionally, the bulky isopropyl group may affect the compound's steric properties and interactions with biological targets. The compound's molecular structure suggests it could be involved in various chemical reactions, including esterification and amidation, and may serve as a building block in organic synthesis. Overall, its unique structural features and chirality make it a compound of interest in both synthetic chemistry and medicinal chemistry contexts.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10(2)11-6-3-4-7-12(11)15(17)13-8-5-9-14(13)16(18)19/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3,(H,18,19)/t13-,14-/s2

InChI key: InChIKey=VIYTWTNVNRXMME-ZCWZLOQUNA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-[2-(1-methylethyl)benzoyl]-, (1R,2R)-rel-
• rel-(1R,2R)-2-[2-(1-Methylethyl)benzoyl]cyclopentanecarboxylic acid