Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

Base Information

• Chemical Name: Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester
• CAS No.: 144602-47-1
• Molecular Formula: C₃₆H₃₈O₄S₂
• Molecular Weight: 598.827
• Mol file: 144602-47-1.mol

Synonyms:Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

Chemical Property of Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

There total 3 articles about Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl 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: 70.0%

thiophenol (108-98-5) + Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-10,13-dimethyl-16-(nitro-phenylsulfanyl-methyl)-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester (144602-46-0) → Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester (144602-47-1)

Guidance literature:

With acetic acid;

DOI:10.1016/S0040-4039(00)61232-7

Reference yield:

(phenylthio)nitromethane (60595-16-6) → Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester (144602-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: DBU / 2-methyl-propan-2-ol; tetrahydrofuran

2: 70 percent / HOAc

With acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; tert-butyl alcohol;

DOI:10.1016/S0040-4039(00)61232-7

Reference yield:

2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (37413-91-5) → Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester (144602-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: DBU / 2-methyl-propan-2-ol; tetrahydrofuran

2: 70 percent / HOAc

With acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; tert-butyl alcohol;

DOI:10.1016/S0040-4039(00)61232-7

upstream raw materials:

thiophenol

Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-10,13-dimethyl-16-(nitro-phenylsulfanyl-methyl)-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

(phenylthio)nitromethane

2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Downstream raw materials:

17α,21-dihydroxy-16β-methyl-1,4,9(11)-pregnatriene-3,20-dione 21-acetate

Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(bis-benzenesulfinyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester

Acetic acid 2-[(8S,10S,13S,14S,16R,17S)-16-(benzenesulfinyl-phenylsulfanyl-methyl)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl ester