CAS 952480-20-5

1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate, identified by its CAS number 952480-20-5, is a chemical compound characterized by its unique structure that includes a pyrrolidine ring substituted with both a tert-butyl group and a phenyl group, along with two carboxylate ester functionalities. This compound typically exhibits properties associated with esters, such as being relatively non-polar and having moderate solubility in organic solvents. Its molecular structure suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. The presence of the pyrrolidine ring may impart specific biological activities, making it of interest for further research. Additionally, the tert-butyl and phenyl substituents can influence the compound's reactivity and interaction with biological targets. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact of this compound would need to be evaluated in detail through experimental studies.

Formula: C₁₆H₂₁NO₄

InChI: InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)

InChI key: InChIKey=JDAQDIQHICLYKH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(CC1C(O)=O)C2=CC=CC=C2

Synonyms:

• 1-[(tert-Butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid
• 1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
• 1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester