CAS 1312815-01-2

Ethyl 3-cyano-1-(phenylmethyl)-3-pyrrolidinecarboxylate

Description:

Ethyl 3-cyano-1-(phenylmethyl)-3-pyrrolidinecarboxylate is a chemical compound characterized by its pyrrolidine ring structure, which is a five-membered nitrogen-containing heterocycle. This compound features a cyano group (-CN) and an ethyl ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the phenylmethyl group enhances its lipophilicity, which may influence its biological activity and solubility in organic solvents. Typically, compounds of this nature are studied for their potential pharmacological properties, including their role as intermediates in the synthesis of pharmaceuticals. The molecular structure suggests that it may exhibit interesting interactions due to the combination of polar and non-polar functional groups. Additionally, the compound's stability, reactivity, and potential toxicity would need to be evaluated in a laboratory setting to understand its behavior in various chemical environments. As with many organic compounds, proper handling and safety measures should be observed due to potential hazards associated with its chemical properties.

Formula: C₁₅H₁₈N₂O₂

InChI: InChI=1S/C15H18N2O2/c1-2-19-14(18)15(11-16)8-9-17(12-15)10-13-6-4-3-5-7-13/h3-7H,2,8-10,12H2,1H3

InChI key: InChIKey=BDIBKSVAAYKVKG-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1(C#N)CN(CC2=CC=CC=C2)CC1

Synonyms:

• 3-Pyrrolidinecarboxylic acid, 3-cyano-1-(phenylmethyl)-, ethyl ester
• Ethyl 1-benzyl-3-cyanopyrrolidine-3-carboxylate
• Ethyl 3-cyano-1-(phenylmethyl)-3-pyrrolidinecarboxylate