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

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

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 th...

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Veröffentlicht in:Journal of chemistry 2017-01, Vol.2017 (2017), p.1-9
Hauptverfasser: González-Rivas, Nelly, Sanchez-Carmona, Miguel A., Reyes, Horacio, Román-Maldonado, Eloisa, Cuevas-Yañez, Erick
Format: Artikel
Sprache:eng
Schlagworte:
Chemical properties
Chemical synthesis
Density functionals
Methods
Molecules
Pharmaceutical research
Serotonin uptake inhibitors
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Beschreibung
Zusammenfassung: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.
ISSN:2090-9063
2090-9071
DOI:10.1155/2017/4783608