CAS 959576-50-2

1-(1,1-Dimethylethyl) (2R)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2R)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate, with CAS number 959576-50-2, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring substituted with various functional groups. This compound features a tert-butyl group, which contributes to its steric bulk, and a trifluoromethylphenyl moiety that enhances its lipophilicity and potential biological activity. The presence of two carboxylate ester groups indicates that it may participate in various chemical reactions, such as hydrolysis or transesterification. The specific stereochemistry at the pyrrolidine ring is crucial for its biological interactions, potentially influencing its pharmacological properties. This compound may be of interest in medicinal chemistry and drug development, particularly for its potential applications in targeting specific biological pathways. However, detailed studies on its toxicity, stability, and reactivity are essential for understanding its practical applications and safety profile.

Formula: C₁₈H₂₂F₃NO₄

InChI: InChI=1S/C18H22F3NO4/c1-16(2,3)26-15(25)22-9-5-8-17(22,14(23)24)11-12-6-4-7-13(10-12)18(19,20)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,23,24)/t17-/m1/s1

InChI key: InChIKey=WXGUGSIKOXDJSI-QGZVFWFLSA-N

SMILES: C([C@]1(C(O)=O)N(C(OC(C)(C)C)=O)CCC1)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-
• 1-(1,1-Dimethylethyl) (2R)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2-pyrrolidinedicarboxylate