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April 24, 2026Journal of the American Chemical Society0 citationsOpen Access

The Pyridylketenyl Anion: Entry to Diverse N-Heterocycles

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SMStephan MayerFKFelix KrischerKWKristin Wulff

Key Points

  • The aim is to synthesize and isolate the pyridylketenyl anion and explore its reactivity in generating N-heterocycles.
  • Synthesis of pyridylketenyl anion via metalation and carbonylation of 2-pyridyl ylide
  • Quantum chemical calculations to analyze charge delocalization
  • IR spectroscopic and X-ray diffraction data to validate electronic structure.
  • Successful synthesis and isolation of the pyridylketenyl anion observed.
  • Charge delocalization across the molecular framework is extensive, supporting diverse reactivity.
  • Cyclization pathways involving pyridine nitrogen lead to the formation of various heterocycles like triazolone and quinolizine.

Abstract

The pyridylketene has previously been isolated via matrix isolation and demonstrated potential in the synthesis of N-heterocycles. Herein, we report the synthesis and isolation of the pyridylketenyl anion through conventional synthetic methods, involving metalation and subsequent carbonylation of the readily available 2-pyridyl ylide. Quantum chemical calculations reveal extensive delocalization of the negative charge across the entire molecular framework, resulting in multiple nucleophilic sites that are best described by a series of resonance structures. IR spectroscopic and X-ray diffraction data corroborate this electronic structure, indicating a markedly compressed C-C-C-O moiety. The pronounced charge delocalization enables diverse reactivities and promotes cyclization pathways involving the pyridine nitrogen. Accordingly, the pyridylketenyl anion serves as a versatile precursor for the construction of heterocycles featuring triazolone, quinolizine, and indolizine motifs, underscoring its broad applicability as a building block in heterocycle synthesis.

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Cite This Study

Mayer et al. (2026) studied this question.

synapsesocial.com/papers/69eb0899553a5433e34b3772https://doi.org/10.1021/jacs.6c03327
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