With the aim of rationalizing the experimental counterion- and solvent-dependent reactivity in the gold(i)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol, a computational mechanistic study unraveled the unexpected formation of a gold-oxetene intermediateviacommonly unfavorable 4-endo-digcyclization triggered by the counterion in low polarity solvents.
The mechanism of the gold(i)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-olvia4-endo-digcyclization
Segato J.;Del Zotto A.;Zuccaccia D.
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2021-01-01
Abstract
With the aim of rationalizing the experimental counterion- and solvent-dependent reactivity in the gold(i)-catalyzed Meyer-Schuster rearrangement of 1-phenyl-2-propyn-1-ol, a computational mechanistic study unraveled the unexpected formation of a gold-oxetene intermediateviacommonly unfavorable 4-endo-digcyclization triggered by the counterion in low polarity solvents.
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