CAS 1638767-52-8

Phenylmethyl 2-(aminomethyl)-2-methyl-1-azetidinecarboxylate

Description:

Phenylmethyl 2-(aminomethyl)-2-methyl-1-azetidinecarboxylate, identified by its CAS number 1638767-52-8, is a chemical compound characterized by its azetidine ring structure, which is a four-membered saturated heterocycle containing one nitrogen atom. This compound features a phenylmethyl group, which contributes to its aromatic properties, and an aminomethyl substituent that introduces basicity and potential for further chemical reactivity. The presence of a carboxylate functional group suggests that it may exhibit acidic characteristics, influencing its solubility and reactivity in various environments. The overall structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can participate in biological interactions. Additionally, the compound's stereochemistry and substituent orientation may play a significant role in its biological activity and pharmacokinetics. As with many azetidine derivatives, it may also exhibit interesting properties related to its ring strain and conformational flexibility.

Formula: C₁₃H₁₈N₂O₂

InChI: InChI=1S/C13H18N2O2/c1-13(10-14)7-8-15(13)12(16)17-9-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3

InChI key: InChIKey=DCIYOSFLNTUNRE-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2C(CN)(C)CC2

Synonyms:

• 1-Azetidinecarboxylic acid, 2-(aminomethyl)-2-methyl-, phenylmethyl ester
• Phenylmethyl 2-(aminomethyl)-2-methyl-1-azetidinecarboxylate