Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters

Two danazol derivatives were synthesized and characterized by spectral analyses. In order to characterize the structural and physicochemical requirements of danazol derivatives, several parameters such HOMO‐LUMO gap, ΔH f , RMS g , dipole moment (µ) and bond length were evaluated. The results showed...

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Bibliographic Details
Published in:E-journal of chemistry 2012-01, Vol.9 (1), p.27-34
Main Authors: Figueroa-Valverde, Lauro, Díaz-Cedillo, Francisco, Garcia-Cervera, Elodia
Format: Article
Language:English
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Summary:Two danazol derivatives were synthesized and characterized by spectral analyses. In order to characterize the structural and physicochemical requirements of danazol derivatives, several parameters such HOMO‐LUMO gap, ΔH f , RMS g , dipole moment (µ) and bond length were evaluated. The results showed that HOMO and µ was high in the compound 5 in comparison with the compound 3. In conclusion all these data indicate that increase in the length of chain induce greater moment dipole and increase HOMO gap in the compound 5 with respect to 3.
ISSN:2090-9063
0973-4945
2090-9071
2090-9810
DOI:10.1155/2012/481769