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Issue 104, 2016
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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

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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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Publication details

The article was received on 19 Aug 2016, accepted on 11 Oct 2016 and first published on 12 Oct 2016


Article type: Paper
DOI: 10.1039/C6RA20929G
Citation: 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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