Alkylation of 3‐Phenyl‐1 H ‐pyrazolo[4,3‐ c ] quinoline: Theoretical Analysis of Regioselectivity
2007; Taylor & Francis; Volume: 37; Issue: 8 Linguagem: Inglês
10.1080/00397910701227077
ISSN1532-2432
AutoresТ. И. Савченко, Olexiy V. Silin, Sergiy M. Kovalenko, Vladymir I. Musatov, Viktor M. Nikitchenko, Alexander V. Ivachtchenko,
Tópico(s)Molecular spectroscopy and chirality
ResumoAbstract The interaction of 3‐phenyl‐1H‐pyrazolo[4.3‐c]quinoline with alkylating agents in the presence of NaH leads mainly to N1‐substituted derivatives. The regioselectivity of the reaction has been studied using AM1 semi‐empirical calculations in the isolated molecule approximation. Keywords: alkylationAM1 method3‐phenyl‐1H‐pyrazolo[4.3‐c]quinolineregioselectivity Acknowledgments The authors thank Vladymir V. Ivanov, Konstantin V. Balakin, and Yan A. Ivanenkov (ChemDiv, Inc.) for discussion and help in preparation of the manuscript.
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