7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol

Base Information

• Chemical Name: 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol
• CAS No.: 1393601-95-0
• Molecular Formula: C₂₇H₂₉FO₃
• Molecular Weight: 420.524

Synonyms:7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol

Chemical Property of 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol

Chemical Property:

Purity/Quality:

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• Pictogram(s):  
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Technology Process of 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol

There total 10 articles about 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

4-fluoro-1-iodobenzene (352-34-1) + 7α-methoxy-17α-ethynylestra-1,3,5(10)-trien-3,17β-diol (1393601-93-8) → 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol (1393601-95-0)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In tetrahydrofuran; for 3h; Reflux; Inert atmosphere;

DOI:10.1016/j.steroids.2012.05.004

Reference yield:

3-O-benzyl-estra-1,3,5(10),6(7)-tetraen-3-ol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane]) (1393601-80-3) → 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol (1393601-95-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 5 h / 0 - 20 °C / pH 8

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere

3.1: sodium hydride / tetrahydrofuran / 20 h / 20 °C

4.1: 10% Pd/C; hydrogen / tetrahydrofuran / 24 h / 20 °C / 760.05 Torr

5.1: sodium carbonate; toluene-4-sulfonic acid / water; acetone / 15 h / 20 °C

6.1: 1H-imidazole / N,N-dimethyl-formamide / 15 h / 0 - 20 °C

7.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 0 °C / Inert atmosphere

7.2: 15 h / -78 - 20 °C / Inert atmosphere

8.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / -10 - 20 °C

9.1: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / tetrahydrofuran / 3 h / Reflux; Inert atmosphere

With 1H-imidazole; copper(l) iodide; lithium aluminium tetrahydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; 10% Pd/C; tetrabutyl ammonium fluoride; hydrogen; sodium hydride; sodium carbonate; toluene-4-sulfonic acid; triethylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; dichloromethane; water; N,N-dimethyl-formamide; acetone;

DOI:10.1016/j.steroids.2012.05.004

Reference yield:

3-O-benzyl-estra-1,3,5(10)-triene-3,6-diol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane]) (1393601-79-0) → 7α-methoxy-17α-(4'-fluorophenylethynyl)estra-1,3,5(10)-triene-3,17β-diol (1393601-95-0)

Guidance literature:

Multi-step reaction with 10 steps

1.1: 2,2-Dimethyl-1,3-propanediol; toluene-4-sulfonic acid / benzene / 4 h / Reflux

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 5 h / 0 - 20 °C / pH 8

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere

4.1: sodium hydride / tetrahydrofuran / 20 h / 20 °C

5.1: 10% Pd/C; hydrogen / tetrahydrofuran / 24 h / 20 °C / 760.05 Torr

6.1: sodium carbonate; toluene-4-sulfonic acid / water; acetone / 15 h / 20 °C

7.1: 1H-imidazole / N,N-dimethyl-formamide / 15 h / 0 - 20 °C

8.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 0 °C / Inert atmosphere

8.2: 15 h / -78 - 20 °C / Inert atmosphere

9.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / -10 - 20 °C

10.1: copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine / tetrahydrofuran / 3 h / Reflux; Inert atmosphere

With 1H-imidazole; copper(l) iodide; lithium aluminium tetrahydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; 10% Pd/C; tetrabutyl ammonium fluoride; hydrogen; sodium hydride; sodium carbonate; toluene-4-sulfonic acid; triethylamine; 2,2-Dimethyl-1,3-propanediol; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; dichloromethane; water; N,N-dimethyl-formamide; acetone; benzene;

DOI:10.1016/j.steroids.2012.05.004

upstream raw materials:

3-O-benzyl-estra-1,3,5⁽¹⁰⁾-trien-3-ol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane])

3-O-benzyl-6-oxoestra-1,3,5⁽¹⁰⁾-triene-3-ol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane])

3-O-benzyl-estra-1,3,5⁽¹⁰⁾-triene-3,6-diol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane])

3-O-benzyl-estra-1,3,5⁽¹⁰⁾,6⁽⁷⁾-tetraen-3-ol-17-one-17,17-(2'-[5',5'-dimethyl-1',3'-dioxane])

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