The issue of the April edition of the scientific journal Asian Journal of Organic Chemistry has become special for the staff of the ISU Laboratory of Quantum Chemical Modeling of molecular systems (ISU LQCMMS). The publication entitled “Quantum-chemical insight into self-organization of complex molecules from acetylene and anilines catalyzed by superbase KOH/DMSO: one-pot cascade assembly of 1,3-bis(arylamines)” was noted by the editors of the highly rated magazine, and Wiley publishing house placed the announcement of the article on the cover of this edition for free.
In collaboration with experimentalists from the Irkutsk Institute of Chemistry of the Siberian Branch of the Russian Academy of Sciences named after A.E. Favorsky, one-pot cascade assembly of 1,3-diamines from 2-chloraniline and acetylene catalyzed by superbase KOH/DMSO was studied using quantum chemistry methods. The method of one-pot assembly of such 1,3-diamines is attractive from the point of view of the principles of green chemistry: the synthesis turns out to be atomically economical, it uses less hazardous solvents and auxiliary substances, the starting materials are accessible, there are no intermediate synthesis stages, it uses simple catalytic systems that do not contain transition metals.
The team of authors of the work “Quantum-chemical insight into self-organization of complex molecules from acetylene and anilines catalyzed by superbase KOH/DMSO: one-pot cascade assembly of 1,3-bis(arylamines)”:
D.Z. Absalyamov, ISU PhD student;
N.M. Vitkovskaya, Doctor of Chemical Sciences, Professor;
V.B. Orel, Candidate of Chemical Sciences;
E.Y. Schmidt, Doctor of Chemical Sciences (IrICh SB RAS);
B.A. Trofimov, Doctor of Chemical Sciences, Academician of RAS (IrICh SB RAS).