Synthetic and computational studies on CuI/ligand pair promoted activation of C(Aryl)-Cl bond in C–N coupling reactions

Cu/ligand-mediated coupling reactions have been widely investigated in the recent past. However, activation of cheaper aryl chlorides is still a great limitation of these reactions. During the course of present investigations efforts have been made to develop a normal and facile CuI/ligand pair protocol for arylation of phthalimide using aryl chlorides. The protocol has also been extended for arylation of amines. On the basis of experimental and theoretical results, a catalytic cycle has also been proposed and it has been established that these reactions follow oxidative addition-reductive elimination (OA-RE) pathway. These studies have indicated that tetracoordinated [Cu(L1)(L2)] + complex is active catalytic species in these reactions.