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Cu/NFSI Catalyzed C–H activation
Express Summary

In this collaborative project, copper-catalyzed radical relay chemistry is used to functionalize diverse molecules with benzylic C–H bonds under mild conditions, resulting in the formation of C–X bonds (X = CN, N3, OMe). The mechanism and enantioselectivity of this reaction are of significant interest to organic synthesis and in particular to medicinal and agricultural chemistry. Using density functional theory, we analyzed multiple potential energy surfaces to understand C–X bond formation. Our results indicate that the mechanism of the reaction depends on the nucleophile X, leading to enantioselectivity in certain cases (X = CN) but not in others (X = N3, OMe).

Project Summary

Summary of the Project

Project Goals
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  • Goal-02.
  • Goal-03.
Relevant Publications
  • Pub-01
  • Pub-02
  • Pub-03

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