Computational Elucidation of Novel Synthetic Scheme for Dasatinib

The Novel route of investigation for the application of Quantum chemistry to clarify the new synthetic route for Dasatinib from (E)-Ethyl-3-ethoxy acrylate by using various reagents. The Overall Reaction carried out in Eight Steps. Which are less than earlier reported synthetic schemes. The Energy of every reactant, Intermediate and products were calculated by using DFT (Density Functional Theory). The energies diagram obtained shown the new proposed scheme could follow the easy path to obtain the product, moreover, the energy barrier required to overcome the transition state is low indicating, very less activation energy is required for every reactant to take part in chemical reaction. The energy diagram that was obtained shows that the new plan that was suggested could follow an easy path to obtaining Product.