Pd/LA-catalyzed decarboxylation enabled exclusive [5 + 2] annulation toward <i>N</i>-aryl azepanes and DFT insights
Teng Liu, Yu‐Qi Fang, Linhong Zuo, Yulian Yang, Yin Liu, Weipeng Chen, Li Dang, Wusheng Guo
Abstract
A practical approach towards the synthesis of non-fused <italic>N</italic>-aryl azepane derivatives with diversity is described. DFT calculations revealed the origins of this unusual exclusive [5 + 2] rather than empirical [3 + 2] annulation process.
Topics & Concepts
AnnulationChemistryDecarboxylationArylCatalysisStereochemistryMedicinal chemistryComputational chemistryOrganic chemistryAlkylCatalytic C–H Functionalization MethodsCatalytic Cross-Coupling ReactionsCatalytic Alkyne Reactions