TY - JOUR
T1 - Synthesis of two steroids derivatives and its relationship with some physicochemical parameters
AU - Figueroa-Valverde, Lauro
AU - Díaz-Cedillo, Francisco
AU - Garcia-Cervera, Elodia
PY - 2012/1
Y1 - 2012/1
N2 - 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.
AB - 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.
KW - Danazol derivatives
KW - Physicochemical parameters
KW - Steroids
KW - Synthesis
UR - http://www.scopus.com/inward/record.url?scp=84856710301&partnerID=8YFLogxK
U2 - 10.1155/2012/481769
DO - 10.1155/2012/481769
M3 - Artículo
SN - 0973-4945
VL - 9
SP - 27
EP - 34
JO - E-Journal of Chemistry
JF - E-Journal of Chemistry
IS - 1
ER -