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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Monatshefte für Chemie 119 (1988), S. 341-348 
    ISSN: 1434-4475
    Keywords: Resonance energy ; Tautomeric structure ; 5-Amino-1,2,4-triazoles ; 1,2,4-Triazolo[1,5-a]pyrimidinones ; 1,2,4-Triazolo[4,3-a]pyrimidinones
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die HMO-Methode wurde für alle möglichen tautomeren Formen der 1,2,4-Triazol-Derivate1–4 und deren kondensierte Analogen5–8 verwendet. Die berechneten Resonanzenergien bewiesen, daß dieHückel-Methode gute Resultate für die Unterscheidung verschiedener tautomerer Formen der planaren 1,2,4-Triazol-Derivate, aber nicht für deren nicht-planare kondensierte Analogen ergibt.
    Notes: Abstract HMO calculations were performed for all possible tautomeric forms of different 1,2,4-triazole derivatives1–4 and their condensed ring analogues5–8. The resonance energies obtained showed this method useful for the differentiation of the tautomeric structure of the planar monocyclic 1,2,4-triazole derivatives but it did not give satisfactory results in case of their non-planar condensed ring analogues.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1434-4475
    Keywords: 1,2,4-Triazolo[1,5-a]pyrimidinones ; 1,2,4-Triazolo[4,3-a]-1,3-diazepinone ; Novel ring system ; IR- ; UV- ; 1H-NMR ; 13C-NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Verschiedene „funktionalisierte“ 3-Oxo-buttersäurealkylester (2) wurden mit 5-Amino-3-Q-1H-1,2,4-triazolen (1) umgesetzt, wobei 1,2,4-Triazolo[1,5-a]pyrimidinone der Typen3 und4 erhalten wurden. Im Fall von2 (R 1=Methyl,R 2=1-Ethoxycarbonylethyl,R 3=Ethyl) wurde neben dem erwarteten Derivat4 das unerwartete 5,6-Dihydro-6,8-dimethyl-7-ethoxycarbonyl-3-me-thylthio-1,2,4-triazolo[4,3-a]-1,3-diazepin-5(9H)-on (7) isoliert, welches ein neues Ringsystem darstellt.
    Notes: Summary Different “functionalized” alkyl 3-oxo-butyrates (2) were reacted with 5-amino-3-Q-1H-1,2,4-triazoles (1) to yield3 and4 type 1,2,4-triazolo[1,5-a]pyrimidinones. In case of2 (R 1=methyl,R 2=1-ethoxycarbonylethyl,R 3=ethyl) beside the corresponding derivative4 the unexpected 5,6-dihydro-6,8-dimethyl-7-ethoxycarbonyl-3-methylthio-1,2,4-triazolo[4,3-a]-1,3-diazepin-5(9H)-one (7) was isolated, representing a novel ring system.
    Type of Medium: Electronic Resource
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