RT journal article
T1 Synthesis of Pyrazolo-Fused 4-Azafluorenones in an Ionic Liquid. Mechanistic Insights by Joint Studies Using DFT Analysis and Mass Spectrometry
A1 Polo, Efraín
A1 Arce-Parada, Valentina
A1 López-Cortés, Xaviera A.
A1 Sánchez Márquez, Jesús
A1 Morales-Bayuelo, Alejandro
A1 Forero-Doria, Oscar
A1 Gutiérrez, Margarita
A2 Química Física
K1 ionic liquid
K1 condensation
K1 4-azafluorenones
K1 ultrasound
K1 reaction mechanism
K1 mass spectrometry
K1 DFT studies
AB 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 syntheticroute has the advantages of easy work-up under mild reaction conditions presenting moderateyields and an environmentally benign procedure. A theoretical study based on conceptual-densityfunctional theory has been done, bond reactivity indices have been calculated and an electrophilicand nucleophilic character of localized orbitals has been determined to analyze the possibleelectronic mechanisms.
PB MDPI
SN 2073-4344
YR 2019
FD 2019-10
LK http://hdl.handle.net/10498/22139
UL http://hdl.handle.net/10498/22139
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 22-sep-2026