Data for: Sustainable Synthesis of N-Heterocycles in Water using Alcohols following the Double Dehydrogenation Strategy

The present study describes the synthesis of pharmaceutically relevant N-heterocycles like substituted quinolines, acridines and 1,8-naphthyridines in water under air using alcohols in presence of a new water soluble Ir-complex. The viability of this approach was demon-strated by the efficient synthesis of biologically active natural product (±)-galipinine and gram scale synthesis of various N-heteroaromatics. Kinetic experiments and DFT calculations suggested a concerted outer sphere mechanism for the dehydrogenation of alcohols.