benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Base Information

• Chemical Name: benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester
• CAS No.: 868162-93-0
• Molecular Formula: C₄₈H₆₆O₁₁S
• Molecular Weight: 851.111

Synonyms:benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Chemical Property of benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

Chemical Property:

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Technology Process of benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

There total 7 articles about benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-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: 93.0%

benzoic acid 3-acetoxy-14,17-dihydroxy-17-{1-[2-(4-hydroxy-3-methyl-butyl)-5,5-dimethyl-[1,3]dioxan-2-yl]-ethyl}-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester (868162-92-9) + p-toluenesulfonyl chloride (98-59-9) → benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester (868162-93-0)

Guidance literature:

With dmap; TEA; In dichloromethane;

DOI:10.1021/ja0531935

Reference yield:

Benzoic acid (3S,5S,8R,9S,10S,12R,13S)-3-acetoxy-17-[(R)-1,5-dimethyl-2-oxo-6-(2,2,2-trifluoro-acetoxy)-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester → benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester (868162-93-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 79 percent / TMSOTf / CH₂Cl₂ / 9.5 h / 20 °C

2: 81 percent / 5,10,15,20-tetraphenyl-21H,23H-porphine; O₂ / CH₂Cl₂ / 40 h / -78 °C / visible light irradiation

3: 91 percent / Zn; AcOH / CH₂Cl₂ / 20 °C

4: 94 percent / aq. Na₂CO₃ / tetrahydrofuran

5: 93 percent / TEA; DMAP / CH₂Cl₂

With dmap; trimethylsilyl trifluoromethanesulfonate; TEA; oxygen; 5,15,10,20-tetraphenylporphyrin; sodium carbonate; acetic acid; zinc; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ja0531935

Reference yield:

benzoic acid 3-acetoxy-17-{1-[5,5-dimethyl-2-(3-methyl-4-trifluoroacetoxy-butyl)-[1,3]dioxan-2-yl]-ethyl}-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl ester → benzoic acid 3-acetoxy-17-(1-{5,5-dimethyl-2-[3-methyl-4-(toluene-4-sulfonyloxy)-butyl]-[1,3]dioxan-2-yl}-ethyl)-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester (868162-93-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 81 percent / 5,10,15,20-tetraphenyl-21H,23H-porphine; O₂ / CH₂Cl₂ / 40 h / -78 °C / visible light irradiation

2: 91 percent / Zn; AcOH / CH₂Cl₂ / 20 °C

3: 94 percent / aq. Na₂CO₃ / tetrahydrofuran

4: 93 percent / TEA; DMAP / CH₂Cl₂

With dmap; TEA; oxygen; 5,15,10,20-tetraphenylporphyrin; sodium carbonate; acetic acid; zinc; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ja0531935

upstream raw materials:

benzoic acid 3-acetoxy-14,17-dihydroxy-17-{1-[2-(4-hydroxy-3-methyl-butyl)-5,5-dimethyl-[1,3]dioxan-2-yl]-ethyl}-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

p-toluenesulfonyl chloride

C₄₃H₅₇F₃O₁₀

benzoic acid 3-acetoxy-17-{1-[5,5-dimethyl-2-(3-methyl-4-trifluoroacetoxy-butyl)-[1,3]dioxan-2-yl]-ethyl}-14,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester

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