Events The 24th International Electronic Conference on Synthetic Organic Chemistry

Event submissions

Published

This submission belongs to the session A. General Organic Synthesis of the event The 24th International Electronic Conference on Synthetic Organic Chemistry

Published date

13 Nov, 2020

Citation

Victor V Dotsenko, Natalya S. Tatarchenko, Vyacheslav K. Kindop, Alexander V. Bespalov, Nicolai A. Aksenov, Synthesis and quantum-chemical studies of new hybrid heterocyclic molecules derived from 3-(thiocyanatoacetyl)coumarin, in Proceedings of The 24th International Electronic Conference on Synthetic Organic Chemistry, 15 November–15 December 2020, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-24-08104

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Synthesis and quantum-chemical studies of new hybrid heterocyclic molecules derived from 3-(thiocyanatoacetyl)coumarin

Natalya S. Tatarchenko ¹

Vyacheslav K. Kindop ¹

Alexander V. Bespalov ¹

Victor V Dotsenko ^2,3,4

Nicolai A. Aksenov ⁴

1. Kuban State University

2. Department of Organic Chemistry and Technologies, Kuban State University, 149 Stavropolskaya Str., 350040 Krasnodar, Russia

3. ChemEx Lab, Vladimir Dal’ Lugansk National University

4. North Caucasus Federal University

Abstract

3-(Thiocyanatoacetyl)coumarin, prepared by reaction of 3-(bromoacetyl)coumarin with KSCN, reacts with primary aryl amines to give new hybrid heterocyclic products, 3-(3-aryl-2-imino-2,3-dihydrothiazol-4-yl)-2Н-chromen-2-ones. The structures and conformational features of the products have been studied by B3LYP-D3/6-311G(d,p) method.

Keywords

3-(bromoacetyl) coumarin

3-(thiocyanatoacetyl)coumarin

heterocyclization

thiazolidines

DFT calculations

Manuscript

sciforum-039996.pdf

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