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Synthesis and quantum-chemical studies of new hybrid heterocyclic molecules derived from 3-(thiocyanatoacetyl)coumarin
1 , 1 , 1 , * 1, 2, 3 , 3
1  Kuban State University
2  ChemEx Lab, Vladimir Dal’ Lugansk National University
3  North Caucasus Federal University


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