%0 Journal Article 
%A Polo, Efraín
%A Arce-Parada, Valentina
%A López-Cortés, Xaviera A.
%A Sánchez Márquez, Jesús
%A Morales-Bayuelo, Alejandro
%A Forero-Doria, Oscar
%A Gutiérrez, Margarita
%T Synthesis of Pyrazolo-Fused 4-Azafluorenones in an Ionic Liquid. Mechanistic Insights by Joint Studies Using DFT Analysis and Mass Spectrometry
%D 2019
%@ 2073-4344
%U http://hdl.handle.net/10498/22139
%X A series of pyrazolo-fused 4-azafluorenones (indeno[1,2-b]pyrazolo[4,3-e]pyridines, IPP)
were synthesized via the three-component reaction between arylaldehydes, 3-methyl-1H-pyrazol-
5-amine and 1,3-indanedione in an ionic liquid as a catalyst at room temperature. The applied synthetic
route has the advantages of easy work-up under mild reaction conditions presenting moderate
yields and an environmentally benign procedure. A theoretical study based on conceptual-density
functional theory has been done, bond reactivity indices have been calculated and an electrophilic
and nucleophilic character of localized orbitals has been determined to analyze the possible
electronic mechanisms.
%K ionic liquid
%K condensation
%K 4-azafluorenones
%K ultrasound
%K reaction mechanism
%K mass spectrometry
%K DFT studies
%~ Universidad de Cádiz