Elucidating the Multicomponent Reaction Pathway of 2‑Pyrrolidone Synthesis.

ABSTRACT: 2-Pyrrolidone derivatives are valuable heterocycles with significant biological relevance, yet their synthesis through multicomponent reactions (MCRs) remains mechanistically ambiguous, particularly due to the difficulty of distinguishing them from isomeric aryl-substituted furanones. In this work, we combine electron impact mass spectrometry (EI-MS), Direct Analysis in Real Time mass spectrometry (DART-MS), and single-crystal X-ray diffraction to unambiguously confirm the exclusive formation of 2-pyrrolidone products in the reaction of anilines, benzaldehydes, and diethyl acetylenedicarboxylate. EI-MS provided a diagnostic fragmentation profile inconsistent with furanone structures, while X-ray analysis validated the pyrrolidone core. Time-resolved DART-MS enabled the detection of key lon

SUBMITTER: Duenas-Deya A 

PROVIDER: S-EPMC12824766 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature