ArticleChemistry, an Asian journal2026
Nickel-Catalyzed Efficient, Regioselective One-Pot Synthesis of 1-Methyleneindenes via Tandem C-C Bond Formation: Computational Mechanistic Insights and Docking Studies.
Article in Chemistry, an Asian journal, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Herein, we report a nickel-catalyzed tandem cyclization-coupling method for the regioselective synthesis of 1-methyleneindenes and benzofulvenes from 1-(2,2-dibromovinyl)-2-alkynylbenzenes and aryl boronic acids. The transformation proceeds in the presence of a suitable ligand and base, enabling sequential activation of the C─Br bonds and intra-molecular alkyne moiety under relatively mild reaction conditions with yields 72%-85%. This robust protocol offers wide range of functional group tolerance in substrate and boronic acid part. Density functional theory (DFT) calculations, in addition, provide thorough mechanistic insights that point to a tandem process of oxidative addition, migratory insertion, and reductive elimination, with key energetic preferences explaining the observed product selectivity.
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