(2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile

Base Information

• Chemical Name: (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile
• CAS No.: 1262017-17-3
• Molecular Formula: C₃₆H₄₀F₅NO₄
• Molecular Weight: 645.71

Synonyms:(2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile

Chemical Property of (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Technology Process of (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile

There total 8 articles about (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile 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: 24.0%

diethyl 1-cyanomethylphosphonate (2537-48-6) + 3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}propynal (1262017-16-2) → (2Z)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-18-4) + (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-17-3)

Guidance literature:

diethyl 1-cyanomethylphosphonate; With sodium hexamethyldisilazane; In diethyl ether; at 23 ℃; for 0.5h;

3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}propynal; In diethyl ether; for 1h;

Reference yield:

(5R,8S,11R,13S,14S,17S)-11-[4-hydroxyphenyl]-5′,5′,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2′-[1,3]dioxane]-5,17(4H)-diol (1262017-12-8) → (2Z)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-18-4) + (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-17-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -10 - 0 °C

1.2: 1.5 h / 0 °C

1.3: 16 h / 23 °C

2.1: piperidine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1 h / 80 °C

3.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 1.5 h / 23 °C / Molecular sieve

4.1: sodium hexamethyldisilazane / diethyl ether / 0.5 h / 23 °C

4.2: 1 h

With piperidine; n-butyllithium; tetrapropylammonium perruthennate; sodium hexamethyldisilazane; 4-methylmorpholine N-oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; hexane; dichloromethane;

Reference yield:

(5′R,8′S,10′R,13′S,14′S)-5,5,13′-trimethyl-1′,2′,6′,7′,8′,12′,13′,14′,15′,16′-decahydro-17′H-spiro[1,3-dioxane-2,3′-[5,10]epoxycyclopenta[a]phenanthren]-17′-one (91175-93-8) → (2Z)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-18-4) + (2E)-5-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}pent-2-en-4-ynenitrile (1262017-17-3)

Guidance literature:

Multi-step reaction with 7 steps

1.1: methyllithium lithium bromide / dichloromethane; diethyl ether / 1 h / -70 °C

2.1: magnesium / tetrahydrofuran / 50 - 80 °C

2.2: 16 h / 0 - 23 °C

3.1: ammonium formate / palladium 10% on activated carbon / methanol / 2 h / 23 °C

4.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -10 - 0 °C

4.2: 1.5 h / 0 °C

4.3: 16 h / 23 °C

5.1: piperidine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1 h / 80 °C

6.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 1.5 h / 23 °C / Molecular sieve

7.1: sodium hexamethyldisilazane / diethyl ether / 0.5 h / 23 °C

7.2: 1 h

With piperidine; n-butyllithium; tetrapropylammonium perruthennate; methyllithium lithium bromide; ammonium formate; sodium hexamethyldisilazane; magnesium; 4-methylmorpholine N-oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; palladium 10% on activated carbon; In tetrahydrofuran; methanol; diethyl ether; hexane; dichloromethane;

upstream raw materials:

diethyl 1-cyanomethylphosphonate

3-{4-[(5R,8S,11R,13S,14S,17S)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-11-yl]phenyl}propynal

p-benzyloxyphenylbromide

(5R,8S,11R,13S,14S,17S)-11-[4-hydroxyphenyl]-5′,5′,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2′-[1,3]dioxane]-5,17(4H)-diol

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