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Copper-Catalysed Rearrangement of Cyclic Ethynylethylene Carbonates: Synthetic Applications and Mechanistic Studies.

Chao XuHao ZhangShouang LanJinggong LiuShuang YangQi ZhangXinqiang Fang
Published in: Angewandte Chemie (International ed. in English) (2023)
Transition-metal-catalysed reactions of cyclic ethynylethylene carbonates have been intensively studied because of their robustness in new bond formation and diversified molecule construction. Known reaction modes usually involve a substitution step occurring at either the propargylic or terminal alkyne positions. Here, we report an unprecedented reaction pattern in which cyclic ethynylethylene carbonates first undergo a rearrangement to release allenal intermediates, which subsequently react with diverse nucleophiles to furnish synthetically useful allylic and propargylic allenols, phosphorus ylides, and cyclopropylidene ketones through an addition process rather than a substitution pathway. The products enable various further transformations, and mechanistic studies and theoretical calculations reveal that the reaction does not proceed via a semipinacol type [1,2]-hydride shift, but through base-mediated deprotonation as the key step to induce the rearrangement.
Keyphrases
  • transition metal
  • case control
  • electron transfer
  • molecular dynamics simulations
  • molecular dynamics
  • single cell