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Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family

dc.contributor.authorArrue L.
dc.contributor.authorRey M.
dc.contributor.authorRubilar-Hernandez C.
dc.contributor.authorCorrea S.
dc.contributor.authorMolins E.
dc.contributor.authorNorambuena L.
dc.contributor.authorZarate X.
dc.contributor.authorSchott E.
dc.date.accessioned2020-09-02T22:12:30Z
dc.date.available2020-09-02T22:12:30Z
dc.date.issued2017
dc.identifier10.1016/j.molstruc.2017.06.004
dc.identifier.citation1148, , 162-169
dc.identifier.issn00222860
dc.identifier.urihttps://hdl.handle.net/20.500.12728/3631
dc.descriptionNitrogen 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 = [sbnd]H(1), -Cl(2), -Br(3), [sbnd]I(4) and [sbnd]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[sbnd]NH2 (R = [sbnd]H (1), [sbnd]Cl (2), -Br(3), [sbnd]I(4) and [sbnd]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,1H- and13C-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. © 2017 Elsevier B.V.
dc.language.isoen
dc.publisherElsevier B.V.
dc.subjectCharacterization
dc.subjectDFT
dc.subjectPyridazinone
dc.subjectSynthesis
dc.subjectBioactivity
dc.subjectCharacterization
dc.subjectChemical compounds
dc.subjectChlorine compounds
dc.subjectNitrogen compounds
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectPesticides
dc.subjectQuantum chemistry
dc.subjectSynthesis (chemical)
dc.subjectX ray diffraction
dc.subject13C NMR spectroscopy
dc.subjectInhibition activity
dc.subjectPharmacological properties
dc.subjectPyridazinone
dc.subjectQuantum chemical calculations
dc.subjectSpectroscopic property
dc.subjectSynthesis of new compound
dc.subjectX-rays diffraction
dc.subjectBromine compounds
dc.titleSynthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family
dc.typeArticle


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