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Metal-Free C-S Bond Formation in Elemental Sulfur and Cyclobutanol Derivatives: The Synthesis of Substituted Thiophenes.

Mingzhong WuChaoxian YanDaijiao ZhuangRulong Yan
Published in: Organic letters (2022)
A general approach for the metal-free synthesis of thiophenes by tert -cyclobutanols and elemental sulfur has been developed. This protocol provides a strategy for constructing multisubstituted thiophene derivatives via C-S bond formation under air. This reaction shows good functionality tolerance under the reaction conditions, and the mechanism is validated by control experiments and density functional theory calculations.
Keyphrases
  • density functional theory
  • molecular dynamics
  • electron transfer
  • randomized controlled trial
  • molecular docking
  • structure activity relationship
  • molecular dynamics simulations
  • transition metal
  • monte carlo