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  • 1
    Electronic Resource
    Electronic Resource
    On the tautomerism of 2,4-disubstituted 3,4,5,6-tetrahydrobenzo[h]quinazolines (1991)
    Springer
    Monatshefte für Chemie 122 (1991), S. 209-213 
    Details
    ISSN: 1434-4475
    Keywords: Benzo[h]quinazolines ; 13C-NMR spectroscopy ; Tautomerism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Tautomerie von 2,4-disubstituierten 3,4,5,6-Tetrahydrobenzo[h]chinazolinen wurde durch1H-,13C-NMR- und UV-Spektroskopie untersucht. Der Vergleich der Spektren von5 und der Modellverbindungen1,3,4 und6 legt nahe, daß für5 das Tautomere5A dominiert.
    Notes: Summary The tautomerism of the title compounds was investigated by1H-,13C-NMR and UV spectroscopy. Compound5 was compared with respect to its spectra with those of appropriate model compounds1,3,4, and6. This gave evidence that5 predominates in the tautomeric from5A.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00809366
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  • 2
    Electronic Resource
    Electronic Resource
    Study of the self-association of methylated pyrimidines in aqueous solutions by 1H NMR chemical shifts (1990)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 28 (1990), S. 246-249 
    Details
    ISSN: 0749-1581
    Keywords: 1H NMR chemical shift ; Self-association ; Stacking ; Methylation ; Pyrimidine ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The self-association of pyrimidine and its methylated derivatives was studied by measuring the concentration-dependent changes in proton chemical shifts in deuterium oxide at 35°C. The data were analysed by a dimer model with two parameters. The equilibrium constants give an increasing tendency for self-association within the series pyrimidine (0.091 ° 0.006 l mol-1) 〈 5-methylpyrimidine (0.165 ° 0.006 l mol-1) ≈ 4-methylpyrimidine (0.183 ± 0.005 l mol-1) 〈 4,6-dimethylpyrimidine (0.410 ± 0.011 l mol-1), and the values of the dimer shifts suggest a stacking-like arrangement for the associated molecules.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260280310
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  • 3
    Electronic Resource
    Electronic Resource
    1H NMR chemical shift study on the stacking interaction between purine and 6-methylpurine (1990)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 28 (1990), S. 1040-1044 
    Details
    ISSN: 0749-1581
    Keywords: 1H NMR chemical shift ; Stacking interaction ; Association ; Purine ; 6-Methylpurine ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mutually induced proton chemical shift changes were measured for purine-6-methylpurine solutions in deuterium oxide at 35° C. The chemical shift vs. concentration profiles were analysed using a three-state decomposition model based on simultaneous, competitive dimer equilibria. The association parameters for purine-6-methylpurine hetero-association provide some additional information about the effect of methylation on the stacking interaction between nucleic acid bases. The equilibrium constant (2.54 ± 0.17 and 2.57 ± 0.29 I mol-1, calculated from the experimental data on purine and 6-methylpurine, respectively) suggests the dominant role of the methylated counterpart in the association. The upfield dimer shifts indicate that the methyl group perturbs the plane-to-plane or stacking-like arrangement in the associated state.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260281209
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