CAS 733740-93-7

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

Description:

Rel-(1R,2R)-2-(2-Ethylbenzoyl)cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and an ethylbenzoyl moiety. The presence of the chiral centers at the 1 and 2 positions of the cyclopentane ring imparts specific stereochemical properties, influencing its reactivity and interactions in biological systems. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the ethylbenzoyl group. Its carboxylic acid functionality allows for potential hydrogen bonding and reactivity in acid-base chemistry. The compound may be of interest in pharmaceutical applications or as an intermediate in organic synthesis, particularly in the development of chiral drugs or agrochemicals. Additionally, its stereochemistry can play a crucial role in determining its biological activity and pharmacokinetics. As with many organic compounds, proper handling and storage conditions are essential to maintain its stability and integrity.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-2-10-6-3-4-7-11(10)14(16)12-8-5-9-13(12)15(17)18/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,17,18)/t12-,13-/s2

InChI key: InChIKey=MYSXYDPFDGUBOD-NVHKGDCHNA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-(2-ethylbenzoyl)-, (1R,2R)-rel-
• rel-(1R,2R)-2-(2-Ethylbenzoyl)cyclopentanecarboxylic acid