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September 10, 2025Journal of the American Chemical Society30 citationsOpen Access

Divergent Synthesis of 1-Azabicyclon.1.1alkane Bioisosteres via Photoinduced Palladium Catalysis

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YZYing ZhangShanghaiTech UniversityKLKai‐Dian LiNankai UniversitySYSong YuKunming University of Science and Technology

Key Points

  • The method successfully synthesizes diverse 1-azabicyclo compounds, enhancing access to valuable bioisosteres.
  • A visible-light-driven palladium photocatalytic system demonstrates broad substrate scope and excellent functional group compatibility.
  • Mechanistic studies reveal key pathways in forming reactive intermediates, vital for achieving divergent synthesis.
  • Applications extend to DNA-encoded library synthesis, showcasing the method's broad potential in the pharmaceutical industry.

Abstract

Nitrogen heterocycles are indispensable structural motifs in pharmaceuticals, agrochemicals, and materials science. However, the development of new synthetic methods to access these frameworks remains a significant challenge. Here, we describe a switchable radical approach for the synthesis of 1-azabicyclo2.1.1hexanes and 1-azabicyclo4.1.1octenes through the coupling of azabicyclo1.1.0butanes with 1,3-dienes, mediated by a visible-light-driven palladium photocatalytic system. This method exhibits a broad substrate scope, excellent functional group compatibility, and the capacity to assemble complex architectures, underscoring its utility in accessing valuable aza-bioisosteres. The strategy has also been employed successfully in DNA-encoded library (DEL) synthesis. Mechanistic studies, synthetic applications, and computational analyses corroborate the proposed open-shell pathway, revealing that allylic palladium intermediate formation and regiodivergent nucleophilic addition are key to achieving divergent synthesis.

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Cite This Study

Zhang et al. (2025) studied this question.

synapsesocial.com/papers/68c189e09b7b07f3a0613a81https://doi.org/10.1021/jacs.5c09500
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