Gold-catalyzed domino cyclization-alkynylation reactions with EBX reagents: new insights into the reaction mechanismElectronic supplementary information (ESI) available: Details of computational methods and experimental procedures. See DOI: 10.1039/c7dt03154h

Gold-catalyzed domino processes constitute a useful alternative to C-H functionalization for the synthesis of functionalized (hetero)arenes. Herein, we report computational studies on the gold-catalyzed cyclization alkynylation of keto-allenes with ethynylbenziodoxole (EBX) reagents, which identified a gold( i ) picolinate complex as the active catalyst, giving the first mechanistic insights into this transformation. New insights into the mechanism of gold-catalyzed domino reactions with hypervalent iodine reagents revealed by computation and confirmed by experiments.