Cobalt Single‐Atom‐Intercalated Molybdenum Disulfide for Sulfide Oxidation with Exceptional Chemoselectivity

The identification of chemoselective oxidation process en route to fine chemicals and specialty chemicals is a long-standing pursuit in chemical synthesis. A vertically structured, cobalt single atom-intercalated molybdenum disulfide catalyst (Co₁ -in-MoS₂ ) is developed for the chemoselective transformation of sulfides to sulfone derivatives. The single-atom encapsulation alters the electron structure of catalyst owing to confinement effect and strong metal-substrate interaction, thus enhancing adsorption of sulfides and chemoselective oxidation at the edge sites of MoS₂ to achieve excellent yields of up to 99% for 34 examples. The synthetic scopes can be extended to sulfide-bearing alkenes, alkynes, aldehydes, ketones, boronic esters, and amines derivatives as a toolbox for the synthesis of high-value, multifunctional sulfones and late-stage functionalization of pharmaceuticals, e.g., Tamiflu. The synthetic utility of cobalt single atom-intercalated MoS₂ , together with its reusability, scalability, and simplified purification process, renders it promising for industrial productions.