Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family
Author | dc.contributor.author | Arrue, Lily | |
Author | dc.contributor.author | Rey, Marina | |
Author | dc.contributor.author | Rubilar Hernández, Carlos | |
Author | dc.contributor.author | Correa, Sebastián | |
Author | dc.contributor.author | Molins, Elies | |
Author | dc.contributor.author | Norambuena Morales, Lorena | |
Author | dc.contributor.author | Zarate, Ximena | |
Author | dc.contributor.author | Schott, Eduardo | |
Admission date | dc.date.accessioned | 2018-07-13T14:17:41Z | |
Available date | dc.date.available | 2018-07-13T14:17:41Z | |
Publication date | dc.date.issued | 2017 | |
Cita de ítem | dc.identifier.citation | Journal of Molecular Structure 1148: 162-169 | es_ES |
Identifier | dc.identifier.other | 10.1016/j.molstruc.2017.06.004 | |
Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/149846 | |
Abstract | dc.description.abstract | Nitrogen compounds are widely investigated due to their pharmacological properties such as antihypertensive, antinociceptive, antibacterial, antifungal, analgesic, anticancer and inhibition activities and lately even as pesticide. In this context, we present the synthesis of new compounds: (E)-6-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)acryloyl)-1-(4-R-phenyl)- 5,6-dihydropyridazin-4(1H)-one (with R = -H(1), -Cl(2), -Br(3), -I(4) and -COOH(5)) that was carried out by reaction of (1E, 6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione with a substituted phenylamine with general formula p-R-C6H4-NH2 (R = -H (1), -Cl (2), -Br(3), -I(4) and -COOH(5)). This is the first synthesis report of a pyridazinone using as precursors a curcuminoid derivative and a diazonium salt formed in situ. All compounds were characterized by EA, FT-IR, UV-Vis, Emission,H-1- and(13)C-NMR spectroscopy and the crystalline and molecular structure of 4 was solved by X-rays diffraction method. DFT and TD-DFT quantum chemical calculations were also employed to characterize the compounds and provide a rational explanation to the spectroscopic properties. To assess the biological activity of the systems, we focused on pesticide tests on compound 2, which showed an inhibitory effect in plant growth of Agrostis tenuis Higland. | es_ES |
Patrocinador | dc.description.sponsorship | Fondo Nacional de Ciencia y Tecnologia of Chile, FONDECYT 1171118 11140563 1161416 1120289 Ministerio de Economia y Competitividad of Spain ENE 2015-63969 SEV 2015-496 CONICYT-Programa de Cooperacion Internacional REDES150042 | es_ES |
Lenguage | dc.language.iso | en | es_ES |
Publisher | dc.publisher | Elsevier | es_ES |
Source | dc.source | Journal of Molecular Structure | es_ES |
Keywords | dc.subject | Pyridazinone | es_ES |
Keywords | dc.subject | Synthesis | es_ES |
Keywords | dc.subject | DFT | es_ES |
Keywords | dc.subject | Characterization | es_ES |
Título | dc.title | Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family | es_ES |
Document type | dc.type | Artículo de revista | |
dcterms.accessRights | dcterms.accessRights | Acceso a solo metadatos | es_ES |
Cataloguer | uchile.catalogador | tjn | es_ES |
Indexation | uchile.index | Artículo de publicación ISI | es_ES |
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