CAS 960294-13-7

1,1-Dimethylethyl 2-(3-chloropropyl)-2-cyano-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 2-(3-chloropropyl)-2-cyano-1-pyrrolidinecarboxylate, identified by its CAS number 960294-13-7, is a chemical compound that features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a cyano group (-CN) and a carboxylate ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of a chloropropyl substituent introduces additional reactivity, making it suitable for various chemical transformations. The tert-butyl group (1,1-dimethylethyl) enhances the steric bulk around the nitrogen atom, which can influence the compound's interaction with biological targets or its behavior in chemical reactions. Overall, this compound's unique structure suggests potential utility in medicinal chemistry or as an intermediate in the synthesis of more complex molecules. However, specific properties such as solubility, melting point, and stability would require empirical measurement or detailed literature references for precise characterization.

Formula: C₁₃H₂₁ClN₂O₂

InChI: InChI=1S/C13H21ClN2O2/c1-12(2,3)18-11(17)16-9-5-7-13(16,10-15)6-4-8-14/h4-9H2,1-3H3

InChI key: InChIKey=FZLLKOINPCAUIK-UHFFFAOYSA-N

SMILES: C(CCCl)C1(C#N)N(C(OC(C)(C)C)=O)CCC1

Synonyms:

• 1,1-Dimethylethyl 2-(3-chloropropyl)-2-cyano-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 2-(3-chloropropyl)-2-cyano-, 1,1-dimethylethyl ester