Experimental and MBO theoretical method studies of HBF4 catalyst for 2-amino-4,6-diphenylnicotinonitrile preparation via an anomeric based oxidation

After revealation and declaration of the anomeric effect (The Edward-Lemieux effect) by J.T. Edward in 1955 for the first time, much consideration was focused on the topic of anomeric effect for a generation of chemists and a great deal of research has been done in this area [1]. An experimental and computational studies in the synthesis of 2-amino-4,6- diphenylnicotinonitrile using HBF4 as oxidizing promoter catalyst under mild and solvent free conditions were occurred. The suggested anomeric based oxidation mechanism was supported by experimental and theoretical evidences. The theoretical study shows that R- and S- isomers of intermediate have suitable structures for the aromatization through an anomeric based oxidation (ABO) in the final step of the mechanistic pathway (Figure 1).