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O. V. Boyarkina, O. B. Tomilin, S. A. Yamashkin
Quantum
chemical study regularities of electrophilic substitution in the synthesis
pyrroloquinolines
Abstract
It is shown that the cyclization of the indolilenaminoketones prepared
from substituted 5-aminoindoles, carried out by the mechanism of electrophilic
substitution is a orbital-controlled interaction. Formation of the
pyrroloquinolines with linear or angular structure is determined by the values
of the electronic populations of frontier orbitals of the interacting atoms.
Key words: electrophilic substitution, electron Mulliken population of
atoms, frontier orbitals, pyrroloquinolines, linear or angular condensation of
rings.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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