Cyclisation of Novel Amino Oxo Esters to Tetramic Acids - Density Functional Theory Study of the Reaction Mechanism

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dc.contributor.author Detsi, A en
dc.contributor.author Afantitis, A en
dc.contributor.author Athanasellis, G en
dc.contributor.author Markopoulos, J en
dc.contributor.author Igglessi-Markopoulou, O en
dc.contributor.author Skylaris, C-K en
dc.date.accessioned 2014-03-01T01:18:48Z
dc.date.available 2014-03-01T01:18:48Z
dc.date.issued 2003 en
dc.identifier.issn 1434-193X en
dc.identifier.uri http://hdl.handle.net/123456789/15210
dc.subject Acylation en
dc.subject Cyclization en
dc.subject Density functional theory en
dc.subject Medicinal chemistry en
dc.subject.classification Chemistry, Organic en
dc.subject.other ester derivative en
dc.subject.other gamma methylamino beta oxo ester derivative en
dc.subject.other nitrogen en
dc.subject.other tetramic acid derivative en
dc.subject.other unclassified drug en
dc.subject.other urethan en
dc.subject.other acylation en
dc.subject.other article en
dc.subject.other calculation en
dc.subject.other cyclization en
dc.subject.other density functional theory en
dc.subject.other isomerism en
dc.subject.other nuclear magnetic resonance spectroscopy en
dc.subject.other precursor en
dc.subject.other reaction analysis en
dc.subject.other synthesis en
dc.subject.other theory en
dc.title Cyclisation of Novel Amino Oxo Esters to Tetramic Acids - Density Functional Theory Study of the Reaction Mechanism en
heal.type journalArticle en
heal.identifier.primary 10.1002/ejoc.200300422 en
heal.identifier.secondary http://dx.doi.org/10.1002/ejoc.200300422 en
heal.language English en
heal.publicationDate 2003 en
heal.abstract The synthesis of novel N-urethane-protected gamma-methylamino-beta-oxo esters and their use as precursors for the preparation of N-methyltetramic acids is described. The presence of the bulky urethane protecting group on the nitrogen atom gives rise to rotational isomers detectable in the NMR spectra of the compounds, along with the keto/enol tautomerism. The mechanism of the cyclisation reaction of gamma-amino-beta-oxo esters to tetramic acids was studied theoretically by the B3LYP hybrid density functional method. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003). en
heal.publisher WILEY-V C H VERLAG GMBH en
heal.journalName European Journal of Organic Chemistry en
dc.identifier.doi 10.1002/ejoc.200300422 en
dc.identifier.isi ISI:000187126800015 en
dc.identifier.issue 23 en
dc.identifier.spage 4593 en
dc.identifier.epage 4600 en

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