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  • 1
    Electronic Resource
    Electronic Resource
    Synthesis of some substituted triazolo[4,3-b][1,2,4]triazines as potential anticancer agents (1988)
    Springer
    Monatshefte für Chemie 119 (1988), S. 591-596 
    Details
    ISSN: 1434-4475
    Keywords: Antineoplastic ; Potential-azapurine analogues ; Triazolo[4,3-b][1,2,4]triazine ; synthesis and biological evaluation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Es wird die Synthese einiger 3-substituierter Amino-6,7-diphenyl-1,2,4-triazolo[4,3-b][1,2,4]-triazine (15) mittels Cyclodesulfurisierung der entsprechenden N-(5,6-Diphenyl-1,2,4-triazin-3-yl)-N′-[subst.thio(carbamoyl)]-hydrazine (3) unter Verwendung von Dicyclohexylcarbodiimid (DDQ) beschrieben. Versuche zur Herstellung von 3-substituierten Amino-7-hydroxy-6-methyl-triazolo[4,3-b][1,2,4]-triazinen schlugen fehl.
    Notes: Abstract The synthesis of some 3-substituted amino-6,7-diphenyl-1,2,4-triazolo[4,3-b][1,2,4]triazines (15) by cyclodesulfurisation of the corresponding N-(5,6-diphenyl-1,2,4-triazin-3-yl)-N′-[substituted thio (carbamoyl)]hydrazines (3) using dicyclohexylcarbodiimid (DCC) and mercuric chloride is described. Moreover, trials to prepare 3-substituted amino-7-hydroxy-6-methyl-1,2,4-triazolo[4,3-b][1,2,4]triazines were not successful.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00809211
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    An Investigation of Structural Stability and Internal Rotation in 3-Cyclopropenecarboxaldehyde and 3-Cyclopropenecarboxylic Acid Fluoride by ab initio Calculations (1998)
    Springer
    Journal of molecular modeling 4 (1998), S. 158-164 
    Details
    ISSN: 0948-5023
    Keywords: Ab initio ; Structural stability ; Rotational barrier ; 3-Cyclopropenecarboxaldehyde ; 3-Cyclo-propenecarboxylic acid fluoride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structural stability and internal rotation in 3-cyclopropenecarboxaldehyde and 3-cyclo-propenecarboxylic acid fluoride were investigated by ab initio calculations with a 6-31G* atomic basis in the latter and a 6-311G* atomic basis set in the former case. For the sake of comparison also results obtained with a 3-21G basis are given in the paper. As expected, it turned out that this basis set is not large enough for three-membered rings. The calculations were carried out both at the Restricted Hartree-Fock (HF) and the second order Moller-Plesset (MP2) levels. The trans-form is predicted to be the lower energy conformer for both molecules. However, in case of the fluoride the two conformers have nearly the same energy. Full optimization was performed at the transition states and the asymmetric potential function for the CXO internal rotations was predicted for both molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s0089480040158
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    Paper (German National Licenses)
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