CAS 885270-65-5

1-(1,1-Dimethylethyl) 4-(4-cyanophenyl)-1,3-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(4-cyanophenyl)-1,3-pyrrolidinedicarboxylate, identified by its CAS number 885270-65-5, is a chemical compound that belongs to the class of pyrrolidine derivatives. This substance features a pyrrolidine ring substituted with two carboxylate groups and a tert-butyl group, as well as a cyanophenyl moiety, which contributes to its unique chemical properties. The presence of the cyano group enhances its potential for various chemical reactions, including nucleophilic additions and substitutions. The tert-butyl group provides steric hindrance, which can influence the compound's reactivity and solubility. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. Additionally, the structural characteristics suggest potential applications in organic synthesis and materials science. As with many organic compounds, the physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the substance. Proper handling and safety measures should be observed due to the potential hazards associated with chemical compounds.

Formula: C₁₇H₂₀N₂O₄

InChI: InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-6-4-11(8-18)5-7-12/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)

InChI key: InChIKey=FXCGBFMJOLRFEI-UHFFFAOYSA-N

SMILES: C(O)(=O)C1C(CN(C(OC(C)(C)C)=O)C1)C2=CC=C(C#N)C=C2

Synonyms:

• 1,3-Pyrrolidinedicarboxylic acid, 4-(4-cyanophenyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 4-(4-cyanophenyl)-1,3-pyrrolidinedicarboxylate