CAS 1415564-45-2

1,1-Dimethylethyl 2-(chloromethyl)-2-[[(phenylmethyl)amino]methyl]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 2-(chloromethyl)-2-[[(phenylmethyl)amino]methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 1415564-45-2, is a complex organic compound characterized by its unique structural features. It contains a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with various functional groups, including a chloromethyl group and a dimethyl group. The presence of the phenylmethylamino moiety suggests potential interactions with biological systems, making it of interest in medicinal chemistry. The compound's ester functional group indicates it may undergo hydrolysis, influencing its stability and reactivity in different environments. Additionally, the presence of chlorine may impart specific reactivity patterns, such as nucleophilic substitution. Overall, this compound's intricate structure and functional groups suggest potential applications in pharmaceuticals or agrochemicals, although specific properties such as solubility, melting point, and biological activity would require empirical investigation for a comprehensive understanding.

Formula: C₁₈H₂₇ClN₂O₂

InChI: InChI=1S/C18H27ClN2O2/c1-17(2,3)23-16(22)21-11-7-10-18(21,13-19)14-20-12-15-8-5-4-6-9-15/h4-6,8-9,20H,7,10-14H2,1-3H3

InChI key: InChIKey=BDQCQYNXNCVHPI-UHFFFAOYSA-N

SMILES: C(NCC1=CC=CC=C1)C2(CCl)N(C(OC(C)(C)C)=O)CCC2

Synonyms:

• tert-Butyl-2-((benzylamino)methyl)-2-(chloromethyl)pyrrolidine-1-carboxylate
• 1,1-Dimethylethyl 2-(chloromethyl)-2-[[(phenylmethyl)amino]methyl]-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 2-(chloromethyl)-2-[[(phenylmethyl)amino]methyl]-, 1,1-dimethylethyl ester