Hydroxy-16α,17α,21-trimethyl-5-en-20-one was synthesized from 3α-acetoxypregna-5,16-dien-20-one and characterized by elemental analysis, 1H NMR, MS and IR. 16α,17α-Dimethyl steroid was formed by treatment of 3β-...Hydroxy-16α,17α,21-trimethyl-5-en-20-one was synthesized from 3α-acetoxypregna-5,16-dien-20-one and characterized by elemental analysis, 1H NMR, MS and IR. 16α,17α-Dimethyl steroid was formed by treatment of 3β-acetoxypregna-5,16-dien-20-one with methylmagnesium bromide, followed by reaction of the resulting 17(20)-enolate with methyl iodide. The main by- products were 3β-hydroxy-16α,17α-dimethyl-5-en-20-one. LHDMS([(CH 3) 3Si] 2NLi) and LDA([(CH 3) 2CH] 2NLi) were chosen as proper reagents for 21-position alkylation. The almost quantitative conversion of 16α,17α-dimethyl corticosteroid was achieved and the highest yield of the 16α,17α,21-trimethyl corticosteroid was 78%. The optimum reaction temperature was -20 ℃ for 16α,17α- dialkylation and was -50 ℃ for 21- position alkylation.展开更多
In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxi...In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxic Alternaric acid structure. The results displayed the information on modification of primary molecules and further synthesis of new bioactive compounds.展开更多
文摘Hydroxy-16α,17α,21-trimethyl-5-en-20-one was synthesized from 3α-acetoxypregna-5,16-dien-20-one and characterized by elemental analysis, 1H NMR, MS and IR. 16α,17α-Dimethyl steroid was formed by treatment of 3β-acetoxypregna-5,16-dien-20-one with methylmagnesium bromide, followed by reaction of the resulting 17(20)-enolate with methyl iodide. The main by- products were 3β-hydroxy-16α,17α-dimethyl-5-en-20-one. LHDMS([(CH 3) 3Si] 2NLi) and LDA([(CH 3) 2CH] 2NLi) were chosen as proper reagents for 21-position alkylation. The almost quantitative conversion of 16α,17α-dimethyl corticosteroid was achieved and the highest yield of the 16α,17α,21-trimethyl corticosteroid was 78%. The optimum reaction temperature was -20 ℃ for 16α,17α- dialkylation and was -50 ℃ for 21- position alkylation.
文摘In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxic Alternaric acid structure. The results displayed the information on modification of primary molecules and further synthesis of new bioactive compounds.
