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, ΔHf, RMSg, dipole moment (µ) and bond length were evaluated. The results showed tha...

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Bibliographic Details
Main Authors: Lauro Figueroa-Valverde, Francisco Díaz-Cedillo, Elodia Garcia-Cervera
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:E-Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2012/481769
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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, ΔHf, RMSg, 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:0973-4945
2090-9810