Catalytic σ-Bond Annulation with Ambiphilic Organohalides Enabled by β-X Elimination

Angew Chem Int Ed Engl. 2023 Aug 21;62(34):e202306581. doi: 10.1002/anie.202306581. Epub 2023 Jul 13.

Abstract

We describe a catalytic cascade sequence involving directed C(sp3 )-H activation followed by β-heteroatom elimination to generate a PdII (π-alkene) intermediate that then undergoes redox-neutral annulation with an ambiphilic aryl halide to access 5- and 6-membered (hetero)cycles. Various alkyl C(sp3 )-oxygen, nitrogen, and sulfur bonds can be selectively activated, and the annulation proceeds with high diastereoselectivity. The method enables modification of amino acids with good retention of enantiomeric excess, as well as σ-bond ring-opening/ring-closing transfiguration of low-strain heterocycles. Despite its mechanistic complexity, the method employs simple conditions and is operationally straightforward to perform.

Keywords: Annulation; C−O Activation; Directing Group; Heterocycle; Palladium.