Issue 104, 2016
From the journal:

RSC Advances

The first computational study for the oxidative aromatization of pyrazolines and 1,4-dihydropyridines using 1,2,4-triazolinediones: an anomeric-based oxidation

Mahya Kiafar,a   Mohammad Ali Zolfigol,*a   Meysam Yariea  and  Avat(Arman) Taherpour*bc  

* Corresponding authors

a Department of Organic Chemistry, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran
E-mail: zolfi@basu.ac.ir, mzolfigol@yahoo.com
Fax: +98 8138257407
Tel: +98 8138282807

b Department of Organic Chemistry, Razi University, P.O. Box: 67149-67346, Kermanshah, Iran

c Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah, Iran

Abstract

In this study, the oxidative aromatization process of 1,3,5-trisubstituted pyrazolines and 1,4 dihydropyridines, as pharmaceutically important structural motifs, using 1,2,4-triazolinediones as efficient oxidative agents were investigated. The achieved data from this computational study confirmed that the newly expanded term of “anomeric-based oxidation” for the aromatization of 1,3,5-trisubstituted pyrazolines and 1,4 dihydropyridine derivatives occurs by the common concerted oxidation via hydrogen abstraction–addition mechanism.

Graphical abstract: The first computational study for the oxidative aromatization of pyrazolines and 1,4-dihydropyridines using 1,2,4-triazolinediones: an anomeric-based oxidation

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Article information

DOI
https://doi.org/10.1039/C6RA20929G
Article type
Paper
Submitted
19 Aug 2016
Accepted
11 Oct 2016
First published
12 Oct 2016

RSC Adv., 2016,6, 102280-102291

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The first computational study for the oxidative aromatization of pyrazolines and 1,4-dihydropyridines using 1,2,4-triazolinediones: an anomeric-based oxidation

M. Kiafar, M. A. Zolfigol, M. Yarie and A. Taherpour, RSC Adv., 2016, 6, 102280 DOI: 10.1039/C6RA20929G

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