Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct <i>N</i>-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment
Weikang Li, Ming Huang, Jiahao Liu, Yong‐Liang Huang, Xiao‐Bing Lan, Zongren Ye, Cunyuan Zhao, Yan Liu, Zhuofeng Ke
Abstract
An example of homogeneous Mo-catalyzed direct N-alkylation of anilines or nitroarenes with alcohols is presented. The DFT aimed design suggested the easily accessible bis-NHC-Mo(0) complex features a strong hydride-donating ability, achieving effective N-alkylation of anilines or challenging nitroarenes with alcohols. The enhanced hydride-donating strategy should be useful in designing highly active systems for borrowing hydrogen transformations.
Topics & Concepts
AlkylationHydrideCatalysisChemistryMolybdenumHomogeneousCombinatorial chemistryHomogeneous catalysisHydrogenOrganic chemistryThermodynamicsPhysicsAsymmetric Hydrogenation and CatalysisNanomaterials for catalytic reactionsAmmonia Synthesis and Nitrogen Reduction