Title : ( A catalyst-free and green method for synthesis of 9-substituted-9H-diuracilopyrans in magnetized water: experimental aspects and molecular dynamics simulation )
Authors: M. Bakherad , Z. Moosavi-Tekyeh , A. Keivanloo , Mostafa Gholizadeh , Z. Toozandejani ,
Full TextAbstract
The reactions of aldehydes and barbituric acid at low temperatures in magnetized water, as a green-promoting medium, provides 9-substituted-9H-diuracilopyrans in high-to-excellent yields. This method offers the advantages of short reaction times, simplicity, low costs, high reaction yields, being green, and no need for any organic solvent. Moreover, the influence of magnetized water on the reactivity of the reactants is investigated using molecular dynamics simulations. It is shown that magnetized water has a dramatic impact on the reactivity of the two reactants involved through increase in the strength of the hydrogen bond interactions between them.
Keywords
, Catalyst, free Diuracilopyran Magnetized water Molecular dynamics simulation Hydrogen bond interaction
@article{paperid:1064306,
author = {M. Bakherad and Z. Moosavi-Tekyeh and A. Keivanloo and Gholizadeh, Mostafa and Z. Toozandejani},
title = {A catalyst-free and green method for synthesis of 9-substituted-9H-diuracilopyrans in magnetized water: experimental aspects and molecular dynamics simulation},
journal = {Research on Chemical Intermediates},
year = {2017},
volume = {44},
number = {1},
month = {January},
issn = {0922-6168},
pages = {373--387},
numpages = {14},
keywords = {Catalyst-free Diuracilopyran Magnetized water Molecular
dynamics simulation Hydrogen bond interaction},
}
%0 Journal Article
%T A catalyst-free and green method for synthesis of 9-substituted-9H-diuracilopyrans in magnetized water: experimental aspects and molecular dynamics simulation
%A M. Bakherad
%A Z. Moosavi-Tekyeh
%A A. Keivanloo
%A Gholizadeh, Mostafa
%A Z. Toozandejani
%J Research on Chemical Intermediates
%@ 0922-6168
%D 2017
