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Synthesis of pyrazolo-fused 4-azafluorenones in an ionic liquid. mechanistic insights by joint studies using dft analysis and mass spectrometry
| dc.contributor.author | Polo, Efraín | |
| dc.contributor.author | Arce-Parada, Valentina | |
| dc.contributor.author | López-Cortés, Xaviera A. | |
| dc.contributor.author | Sánchez-Márquez, Jesús | |
| dc.contributor.author | Morales-Bayuelo, Alejandro | |
| dc.contributor.author | Forero-Doria, Oscar | |
| dc.contributor.author | Gutiérrez, Margarita | |
| dc.date.accessioned | 2020-04-01T12:15:59Z | |
| dc.date.available | 2020-04-01T12:15:59Z | |
| dc.date.issued | 2019 | |
| dc.identifier.uri | http://repositorio.ucm.cl/handle/ucm/2679 | |
| dc.description.abstract | 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-pyrazol5-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. | es_CL |
| dc.language.iso | en | es_CL |
| dc.rights | Atribución-NoComercial-SinDerivadas 3.0 Chile | * |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/cl/ | * |
| dc.source | Catalysts, 9(10), 1-22 | es_CL |
| dc.subject | Ionic liquid | es_CL |
| dc.subject | Condensation | es_CL |
| dc.subject | 4-azafluorenones | es_CL |
| dc.subject | Ultrasound | es_CL |
| dc.subject | Reaction mechanism | es_CL |
| dc.subject | Mass spectrometry | es_CL |
| dc.subject | DFT studies | es_CL |
| dc.title | Synthesis of pyrazolo-fused 4-azafluorenones in an ionic liquid. mechanistic insights by joint studies using dft analysis and mass spectrometry | es_CL |
| dc.type | Article | es_CL |
| dc.ucm.indexacion | Scopus | es_CL |
| dc.ucm.indexacion | Isi | es_CL |
| dc.ucm.uri | www.mdpi.com/2073-4344/9/10/820 | es_CL |
| dc.ucm.doi | dx.doi.org/10.3390/catal9100820 | es_CL |
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