Publicación:
Curcumin Related 1,4-Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X-ray Crystallography, Density Functional Theory and GIAO Calculations

Vista sencilla de ítem
dc.contributor.authorAndrade, Ana
dc.contributor.authorClaramunt, Rosa María
dc.contributor.authorTorralba, M. Carmen
dc.contributor.authorTorres, M. Rosario
dc.contributor.authorAlkorta, Ibon
dc.contributor.authorElguero, J.
dc.contributor.authorNieto Gómez, Carla Isabel
dc.contributor.authorSanz del Castillo, Dionisia
dc.date.accessioned2024-05-20T11:58:31Z
dc.date.available2024-05-20T11:58:31Z
dc.date.issued2017-05-02
dc.description.abstractThe reaction of 1,2-ethylenediamine with seven fluorinated β-diketones affords two different 1,4-diazepine series depending on the experimental conditions. Their structures as well as tautomerism have been established by 1H, 13C, 15N and 19F nuclear magnetic resonance in solution supported by density functional theory calculations at the B3LYP/6-311++G(d,p) level. The two compounds obtained from (E)-5-(2-fluoro-4-hydroxyphenyl)-1-phenylpent-4-ene-1,3-dione were analyzed by X-ray crystallography and studied by solid-state NMR.en
dc.description.versionversión publicada
dc.identifier.doihttp://doi.org/10.1002/slct.201700405
dc.identifier.issn2365-6549
dc.identifier.urihttps://hdl.handle.net/20.500.14468/12776
dc.journal.issue13
dc.journal.titleChemistrySelect
dc.journal.volume2
dc.language.isoen
dc.publisherWiley
dc.relation.centerFacultad de Ciencias
dc.relation.departmentQuímica Orgánica y Bio-Orgánica
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0
dc.subject.keywordsCurcuminoid
dc.subject.keywordsDiazepines
dc.subject.keywordsTautomerism
dc.subject.keywordsNMR
dc.subject.keywordsX-ray
dc.subject.keywordsDFT
dc.titleCurcumin Related 1,4-Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X-ray Crystallography, Density Functional Theory and GIAO Calculationses
dc.typejournal articleen
dc.typeartículoes
dspace.entity.typePublication
relation.isAuthorOfPublicationc6f94a2a-9f54-48f9-a6f1-3115b17b098d
relation.isAuthorOfPublicationc4e6468b-75c5-452b-bf12-9637dd3519f3
relation.isAuthorOfPublication.latestForDiscoveryc6f94a2a-9f54-48f9-a6f1-3115b17b098d
Archivos
Bloque original
Mostrando 1 - 1 de 1
Miniatura
Nombre:
Nieto Gomez_Carla Isabel_Chem Select_vor_restringido.pdf
Tamaño:
4.93 MB
Formato:
Adobe Portable Document Format
Descargar
Colecciones
Artículos y papers