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

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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Main Authors: Lauro Figueroa-Valverde, Francisco Díaz-Cedillo, Elodia Garcia-Cervera
Format: Article
Language:English
Published: Hindawi Limited 2012-01-01
Series:E-Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2012/481769
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spelling doaj-fb72d74106a34bd98da9f9367f63e5972020-11-25T00:04:26ZengHindawi LimitedE-Journal of Chemistry0973-49452090-98102012-01-0191273410.1155/2012/481769Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical ParametersLauro Figueroa-Valverde0Francisco Díaz-Cedillo1Elodia Garcia-Cervera2Lab. Farmacoquímica, Facultad de Ciencias Químico-Biológicas, Universidad Autónoma de Campeche, Av. Agustín Melgar, Col Buenavista C.P.24039 Campeche Cam., MéxicoEsc. Nal. de Ciencias Biológicas del Instituto Politécnico Nacional. Prol. Carpio y Plan de Ayala s/n Col. Santo Tomas, D.F. CP. 11340, MéxicoLab. Farmacoquímica, Facultad de Ciencias Químico-Biológicas, Universidad Autónoma de Campeche, Av. Agustín Melgar, Col Buenavista C.P.24039 Campeche Cam., MéxicoTwo 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.http://dx.doi.org/10.1155/2012/481769
collection DOAJ
language English
format Article
sources DOAJ
author Lauro Figueroa-Valverde
Francisco Díaz-Cedillo
Elodia Garcia-Cervera
spellingShingle Lauro Figueroa-Valverde
Francisco Díaz-Cedillo
Elodia Garcia-Cervera
Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
E-Journal of Chemistry
author_facet Lauro Figueroa-Valverde
Francisco Díaz-Cedillo
Elodia Garcia-Cervera
author_sort Lauro Figueroa-Valverde
title Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
title_short Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
title_full Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
title_fullStr Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
title_full_unstemmed Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters
title_sort synthesis of two steroids derivatives and its relationship with some physicochemical parameters
publisher Hindawi Limited
series E-Journal of Chemistry
issn 0973-4945
2090-9810
publishDate 2012-01-01
description 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.
url http://dx.doi.org/10.1155/2012/481769
work_keys_str_mv AT laurofigueroavalverde synthesisoftwosteroidsderivativesanditsrelationshipwithsomephysicochemicalparameters
AT franciscodiazcedillo synthesisoftwosteroidsderivativesanditsrelationshipwithsomephysicochemicalparameters
AT elodiagarciacervera synthesisoftwosteroidsderivativesanditsrelationshipwithsomephysicochemicalparameters
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