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N -Metallocenyl Ynamides: Preparation, Reactivity, and Synthesis of ansa [3]-Ferrocenylamides.

Capucine MaheOlivier BlacqueGilles GasserVincent GandonKevin Cariou
Published in: Organic letters (2023)
The first synthesis of various N -metallocenyl ynamides has been developed, and two strategies for the oxidative cyclization of N -ferrocenyl ynamide into ansa [3]-ferrocenylamide are also reported. The mechanism for the iodine(III)-triggered transformation has been studied by means of DFT calculations, showing that it proceeds through a concerted iodination deprotonation step.
Keyphrases
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • magnetic resonance
  • computed tomography
  • monte carlo