1-(2-Chlorobenzyloxy)-3-[1, 2, 3]triazol-1-yl-propan-2-ol Derivatives: Synthesis, Characterization, and DFT-Based Descriptors Analysis. (13th March 2017) - Román-Maldonado, Eloisa
Abstract : A novel series of 1-(2-chlorobenzyloxy)-3-[1, 2, 3]triazol-1-yl-propan-2-ol derivatives was designed and synthesized using copper catalyzed alkyne-azide cycloaddition in the key step. Theoretical investigation of molecular and electronic properties by means of global and local reactivity indexes of the synthetized compounds was carried out, using DFT (Density Functional Theory) at PBEPBE/6-31++G ⁎⁎ level.