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Three-component one-pot synthesis of novel pyrido[2,3-d]pyrimidine indole substituted derivatives and DFT analysis
dc.contributor.author | Rangel J. | |
dc.contributor.author | Díaz-Uribe C. | |
dc.contributor.author | Rodriguez-Serrano A. | |
dc.contributor.author | Zarate X. | |
dc.contributor.author | Serge Y. | |
dc.contributor.author | Vallejo W. | |
dc.contributor.author | Nogueras M. | |
dc.contributor.author | Trilleras J. | |
dc.contributor.author | Quiroga J. | |
dc.contributor.author | Tatchen J. | |
dc.contributor.author | Cobo J. | |
dc.date.accessioned | 2020-09-02T22:26:34Z | |
dc.date.available | 2020-09-02T22:26:34Z | |
dc.date.issued | 2017 | |
dc.identifier | 10.1016/j.molstruc.2017.02.038 | |
dc.identifier.citation | 1137, , 431-439 | |
dc.identifier.issn | 00222860 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12728/5960 | |
dc.description | Pyridopyrimidines 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.iso | en | |
dc.publisher | Elsevier B.V. | |
dc.subject | Indole | |
dc.subject | One-step synthesis | |
dc.subject | Pyrido[2,3-d]pyrimidine | |
dc.subject | Three-component reaction | |
dc.subject | Addition reactions | |
dc.subject | Aldehydes | |
dc.subject | Aromatization | |
dc.subject | Chemical compounds | |
dc.subject | Electronic structure | |
dc.subject | Polycyclic aromatic hydrocarbons | |
dc.subject | Quantum chemistry | |
dc.subject | Heterocyclic aromatic compounds | |
dc.subject | Indole | |
dc.subject | Indole derivatives | |
dc.subject | Michael reactions | |
dc.subject | One step synthesis | |
dc.subject | Pyrido[2,3-d]pyrimidine | |
dc.subject | Quantum chemical calculations | |
dc.subject | Three component reactions | |
dc.subject | Aromatic compounds | |
dc.title | Three-component one-pot synthesis of novel pyrido[2,3-d]pyrimidine indole substituted derivatives and DFT analysis | |
dc.type | Article |