CAS 80896-75-9

rel-(3R,4S)-4-(4-Methylphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid

Description:

Rel-(3R,4S)-4-(4-Methylphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid, with the CAS number 80896-75-9, is a chiral compound characterized by its specific stereochemistry, indicated by the (3R,4S) configuration. This compound features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with a phenylmethyl group and a para-methylphenyl group, contributing to its complex structure and potential biological activity. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit solubility in polar solvents. Its chirality may influence its pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of drugs that target specific biological pathways. The compound's unique structure may also lead to specific interactions with biological macromolecules, which could be relevant in the context of drug design and development. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₉H₂₁NO₂

InChI: InChI=1/C19H21NO2/c1-14-7-9-16(10-8-14)17-12-20(13-18(17)19(21)22)11-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)/t17-,18+/s2

InChI key: InChIKey=BXNQHFXIEKKDBA-ZVOYONDMNA-N

SMILES: C(O)(=O)[C@H]1[C@@H](CN(CC2=CC=CC=C2)C1)C3=CC=C(C)C=C3

Synonyms:

• 3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-1-(phenylmethyl)-, trans-
• 3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-1-(phenylmethyl)-, (3R,4S)-rel-
• rel-(3R,4S)-4-(4-Methylphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
• 1-Benzyl-trans-4-(p-tolyl)pyrrolidine-3-carboxylic acid