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α,β-Desaturation and Formal β-C(sp<sup>3</sup>)–H Fluorination of <i>N</i>-Substituted Amines: A Late-Stage Functionalization Strategy Enabled by Electrochemistry

Luiz F. T. Novaes, Justin S. K. Ho, Kaining Mao, Elisia Villemure, Jack A. Terrett, Song Lin

2024Journal of the American Chemical Society36 citationsDOIOpen Access PDF

Abstract

Incorporation of C(sp 3 )–F bonds in biologically active compounds is a common strategy employed in medicinal and agricultural chemistry to tune pharmacokinetic and pharmacodynamic properties. Due to the limited number of robust strategies for C(sp 3 )–H fluorination of complex molecules, time-consuming de novo syntheses of such fluorinated analogs are typically required, representing a major bottleneck in the drug discovery process. In this work, we present a general and operationally simple strategy for site-specific β-C(sp 3 )–H fluorination of amine derivatives including carbamates, amides, and sulfonamides, which is compatible with a wide range of functional groups including N -heteroarenes. In this approach, an improved electrochemical Shono oxidation is used to set the site of functionalization via net α,β-desaturation to access enamine derivatives. We further developed a series of new transformations of these enamine intermediates to synthesize a variety of β-fluoro-α-functionalized structures, allowing efficient access to pertinent targets to accelerate drug discovery campaigns.

Topics & Concepts

ChemistrySurface modificationElectrochemistryOrganic chemistryCombinatorial chemistryMedicinal chemistryElectrodePhysical chemistryFluorine in Organic ChemistryChemical Reactions and IsotopesRadical Photochemical Reactions