Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Base Information

• Chemical Name: Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• CAS No.: 51673-56-4
• Molecular Formula: C₃₁H₄₁NO₆
• Molecular Weight: 523.67
• Mol file: 51673-56-4.mol

Synonyms:Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Chemical Property of Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

There total 5 articles about Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 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%

1-(2-nitrophenyl)ethane-1,2-diol (51673-59-7) + Pregnenolone acetate (1778-02-5) → Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (51673-56-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 10h; Heating; in the dark;

Reference yield:

2-nitro-benzaldehyde (552-89-6) → Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (51673-56-4)

Guidance literature:

Multi-step reaction with 5 steps

1: 14 percent / diethyl ether / 1.) 0 deg C 1 h: 2.) 3 h room temperature

2: 68 percent / bromine / dioxane / 2 h

3: 88 percent / sodium borohydride / dioxane; H₂O / 1.) 2 h at 5 deg C; 2.) 30 min room temperature

4: 78 percent / 10 percent aq potassium carbonate / dioxane / 17 h / Heating; in the dark

5: 80 percent / p-toluenesulfonic acid / benzene / 10 h / Heating; in the dark

With sodium tetrahydroborate; bromine; potassium carbonate; toluene-4-sulfonic acid; In 1,4-dioxane; diethyl ether; water; benzene;

Reference yield:

2-acetylnitrobenzene (577-59-3) → Acetic acid (3S,8S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-methyl-4-(2-nitro-phenyl)-[1,3]dioxolan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester (51673-56-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 68 percent / bromine / dioxane / 2 h

2: 88 percent / sodium borohydride / dioxane; H₂O / 1.) 2 h at 5 deg C; 2.) 30 min room temperature

3: 78 percent / 10 percent aq potassium carbonate / dioxane / 17 h / Heating; in the dark

4: 80 percent / p-toluenesulfonic acid / benzene / 10 h / Heating; in the dark

With sodium tetrahydroborate; bromine; potassium carbonate; toluene-4-sulfonic acid; In 1,4-dioxane; water; benzene;

upstream raw materials:

1-(2-nitrophenyl)ethane-1,2-diol

Pregnenolone acetate

2-acetylnitrobenzene

(+/-)-2-(2-nitrophenyl)oxirane

Downstream raw materials:

Pregnenolone acetate