(8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
• CAS No.: 2222344-98-9
• Molecular Formula: C₃₄H₄₇NO₂
• Molecular Weight: 501.753

Synonyms:

Chemical Property of (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Property:

• Boiling Point: 640.5±55.0 °C(Predicted)
• Density: 1.11±0.1 g/cm3(Predicted)

Purity/Quality:

≥95% ^*data from raw suppliers

ORIC-101 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

There total 14 articles about (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 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: 38.0%

(8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolan]-17-ol → (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (2222344-98-9)

Guidance literature:

With hydrogenchloride; water; acetic acid; Glyoxilic acid; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00743

Reference yield:

(8S,9R,11S,13S,14S,17S)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one → (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (2222344-98-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: hydrogenchloride / water; ethanol / 16 h / 65 °C / Inert atmosphere

2.1: toluene-4-sulfonic acid; acetic acid / 2 h / 20 °C / Inert atmosphere

3.1: cyclohexanone; aluminum isopropoxide / toluene / 4 h / 105 °C / Inert atmosphere

4.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

4.2: 4 h / -78 - 25 °C / Inert atmosphere

5.1: hydrogenchloride; Glyoxilic acid; water; acetic acid / 20 h / 20 °C / Inert atmosphere

With hydrogenchloride; n-butyllithium; water; cyclohexanone; aluminum isopropoxide; toluene-4-sulfonic acid; acetic acid; Glyoxilic acid; In tetrahydrofuran; ethanol; hexane; water; toluene; 3.1: |Oppenauer Oxidation;

DOI:10.1021/acs.jmedchem.8b00743

Reference yield:

(8R,9S,10R,11S,13S,14S,17S)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one → (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-11-(4-(isopropyl(methyl)amino)phenyl)-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (2222344-98-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid; acetic acid / 2 h / 20 °C / Inert atmosphere

2.1: cyclohexanone; aluminum isopropoxide / toluene / 4 h / 105 °C / Inert atmosphere

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

3.2: 4 h / -78 - 25 °C / Inert atmosphere

4.1: hydrogenchloride; Glyoxilic acid; water; acetic acid / 20 h / 20 °C / Inert atmosphere

With hydrogenchloride; n-butyllithium; water; cyclohexanone; aluminum isopropoxide; toluene-4-sulfonic acid; acetic acid; Glyoxilic acid; In tetrahydrofuran; hexane; toluene; 2.1: |Oppenauer Oxidation;

DOI:10.1021/acs.jmedchem.8b00743

upstream raw materials:

4-(N-isopropyl-N-methylamino)phenyl bromide

ethylene deltenone

(5'R,10'R,13'S)-13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-17'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one

(5R,10R,13S,17S)-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[5,10-epoxycyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

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