CAS 86954-06-5

Phenylmethyl 2-(bromomethyl)-1-pyrrolidinecarboxylate

Description:

Phenylmethyl 2-(bromomethyl)-1-pyrrolidinecarboxylate, identified by its CAS number 86954-06-5, is a chemical compound that belongs to the class of pyrrolidine derivatives. It features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with a phenylmethyl group and a bromomethyl group, contributing to its reactivity and potential applications in organic synthesis. The presence of the carboxylate functional group indicates that it can participate in various chemical reactions, such as esterification and nucleophilic substitutions. This compound may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its physical properties, such as solubility, melting point, and boiling point, would depend on the specific molecular interactions and the presence of functional groups. As with many brominated compounds, it may also exhibit unique reactivity patterns due to the presence of the bromine atom, which can influence its behavior in chemical reactions. Safety and handling precautions should be observed due to potential toxicity associated with brominated organic compounds.

Formula: C₁₃H₁₆BrNO₂

InChI: InChI=1S/C13H16BrNO2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2

InChI key: InChIKey=SWEDETNNQUBIJG-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C(CBr)CCC2

Synonyms:

• 2-Bromomethyl-pyrrolidine-1-carboxylic acid benzyl ester
• Phenylmethyl 2-(bromomethyl)-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 2-(bromomethyl)-, phenylmethyl ester