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Journal of Chemistry
Volume 2017, Article ID 4783608, 9 pages
Research Article

1-(2-Chlorobenzyloxy)-3-[1,2,3]triazol-1-yl-propan-2-ol Derivatives: Synthesis, Characterization, and DFT-Based Descriptors Analysis

1Centro Conjunto de Investigación en Química Sustentable UAEM-UNAM, Universidad Autónoma del Estado de México, Carretera Toluca-Atlacomulco Km 14.5, 50200 Toluca, MEX, Mexico
2División de Ingeniería Química, Instituto de Estudios Superiores de Jocotitlán, Carretera Toluca-Atlacomulco Km 44.8, Ejido de San Juan y San Agustin, Jocotitlán, MEX, Mexico

Correspondence should be addressed to Erick Cuevas-Yañez; xm.xemeau@ysaveuce

Received 14 December 2016; Accepted 13 February 2017; Published 13 March 2017

Academic Editor: Anton Kokalj

Copyright © 2017 Eloisa Román-Maldonado et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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.