Palladium-catalyzed allene synthesis enabled by β-hydrogen elimination from sp<sup>2</sup>-carbon.

Zhang, Ge; Song, Yi-Kang; Zhang, Fang; Xue, Ze-Jian; Li, Meng-Yao; Zhang, Gui-Shan; Zhu, Bin-Bin; Wei, Jing et al. · Nat Commun · 2021

basic_science · Level V

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Abstract

The rational design based on a deep understanding of the present reaction mechanism is an important, viable approach to discover new organic transformations. β-Hydrogen elimination from palladium complexes is a fundamental reaction in palladium catalysis. Normally, the eliminated β-hydrogen has to be attached to a sp<sup>3</sup>-carbon. We envision that the hydrogen elimination from sp<sup>2</sup>-carbon is possible by using thoroughly designed reaction systems, which may offer a new strategy for the preparation of allenes. Here, we describe a palladium-catalyzed cross-coupling of 2,2-diarylvinyl bromides and diazo compounds, where a β-vinylic hydrogen elimination from allylic palladium intermediate is proposed to be the key step. Both aryl diazo carbonyl compounds and N-tosylhydrazones are competent carbene precursors in this reaction. The reaction mechanism is explored by control experiments, KIE studies and DFT calculations.