Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles-Reference-Cited by-同舟云学术

Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles

Published:2023 Issue:8 Volume:47 Page:3683-3691
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Badawi Mohammad Abd Al-Hakim¹^ORCID,Khairbek Ali A.¹^ORCID,Thomas Renjith²^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Tishreen University, Lattakia, Syrian Arab Republic

2. Department of Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala-686101, India

Abstract

The Cu(i)-catalyzed azide-alkyne cycloaddition (CuAAC) reactions with diimine and phosphorus ligands have been studied using DFT calculations in order to understand the effect of the nature of the ligands on the catalytic cycle for the formation of the 1,4-regioisomer.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NJ/D2NJ06173B

Reference62 articles.

1. Progress in 1,3-dipolar cycloadditions in the recent decade: an update to strategic development towards the arsenal of organic synthesis

2. Copper-catalysed azide–alkyne cycloadditions (CuAAC): an update

3. Beyond click chemistry – supramolecular interactions of 1,2,3-triazoles

4. Copper-catalyzed azide–alkyne cycloaddition (CuAAC) and beyond: new reactivity of copper(i) acetylides

5. Cu-Catalyzed Azide−Alkyne Cycloaddition

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted 1,2,3-triazoles;Molecular Catalysis;2024-09

2. Exploring the potential of metal-catalysis with N, N-type ligands in [3+2] cycloaddition reactions of azides and alkynes using theoretical tools;Reaction Kinetics, Mechanisms and Catalysis;2024-08-08

3. Unveiling the ion sensing capabailities of ‘click’ derived chalcone-tailored 1,2,3-triazolic isomers for Pb(ii) and Cu(ii) ions: DFT analysis;RSC Advances;2024

4. Ultrafine low loading AgCu nanoclusters supported on defective ZIF-8 for the click reaction with high stability;New Journal of Chemistry;2024

5. Theoretical investigation of a chiral Brønsted acid (CBA)-catalyzed isomerization reaction of BCB: mechanism and origin of stereoselectivity;New Journal of Chemistry;2024