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dc.contributor.authorRangel J.
dc.contributor.authorDíaz-Uribe C.
dc.contributor.authorRodriguez-Serrano A.
dc.contributor.authorZarate X.
dc.contributor.authorSerge Y.
dc.contributor.authorVallejo W.
dc.contributor.authorNogueras M.
dc.contributor.authorTrilleras J.
dc.contributor.authorQuiroga J.
dc.contributor.authorTatchen J.
dc.contributor.authorCobo J.
dc.date.accessioned2020-09-02T22:26:34Z
dc.date.available2020-09-02T22:26:34Z
dc.date.issued2017
dc.identifier10.1016/j.molstruc.2017.02.038
dc.identifier.citation1137, , 431-439
dc.identifier.issn00222860
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5960
dc.descriptionPyridopyrimidines are heterocyclic aromatic compounds known by their antibacterial and medicinal properties. In this work, a series of pyrido[2,3-d]pyrimidine indole derivatives were synthesized by three-component one pot cyclocondensation Michael reaction between 2,6-diaminopirimidin-4(3H)-one, 3-(2-cyanoacetyl)indole and aromatic aldehydes in boiling acetic acid as solvent. The compounds differ with respect to the substituents of the aromatic aldehyde which are comprised by -C6H5, -4-ClC6H4, -4-NO2C6H4, -3,4-OCH2OC6H3, -3-OCH3,4-OH,5-NO2C6H2, and -3,4,5-tri-H3COC6H2, respectively. The compounds were synthesized with reasonable yields. They were characterized by and IR, mass, and NMR spectrometry. The protocol employed offers the convenient advantages of a one-step synthesis, considerable savings of solvents, and easy isolation of reaction products. In addition, DFT and TD-DFT quantum chemical calculations were used to characterize the geometry and electronic structure of the compounds. © 2017 Elsevier B.V.
dc.language.isoen
dc.publisherElsevier B.V.
dc.subjectIndole
dc.subjectOne-step synthesis
dc.subjectPyrido[2,3-d]pyrimidine
dc.subjectThree-component reaction
dc.subjectAddition reactions
dc.subjectAldehydes
dc.subjectAromatization
dc.subjectChemical compounds
dc.subjectElectronic structure
dc.subjectPolycyclic aromatic hydrocarbons
dc.subjectQuantum chemistry
dc.subjectHeterocyclic aromatic compounds
dc.subjectIndole
dc.subjectIndole derivatives
dc.subjectMichael reactions
dc.subjectOne step synthesis
dc.subjectPyrido[2,3-d]pyrimidine
dc.subjectQuantum chemical calculations
dc.subjectThree component reactions
dc.subjectAromatic compounds
dc.titleThree-component one-pot synthesis of novel pyrido[2,3-d]pyrimidine indole substituted derivatives and DFT analysis
dc.typeArticle


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