Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

Base Information

Chemical Name:Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester
CAS No.:205698-13-1
Molecular Formula:C₃₁H₄₂O₃S
Molecular Weight:494.739
Hs Code.:

Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

Synonyms:Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

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Chemical Property of Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

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Technology Process of Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

There total 7 articles about Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] 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: 68.0%

: 205698-12-0
Thiobenzoic acid S-{5-[(7R,8R,9S,10R,13S,14S,17S)-17-(tert-butyl-dimethyl-silanyloxy)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]-pentyl} ester

: 205698-13-1
Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

Guidance literature:: With hydrogen fluoride; In acetonitrile; for 1h; Ambient temperature;

Reference yield:

: 2352-19-4
androsta-4,6-dien-17β-ol-3-one acetate

: 205698-13-1
Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

Guidance literature:: Multi-step reaction with 7 steps

1: 43 percent / 1.) Mg; 2.) CuCN / tetrahydrofuran / 1.) a.) 60 deg C, 1 h; b.) -45 deg C, 30 min; 2.) -45 to -40 deg C, 2.5 h

2: 75 percent / 1N NaOH / methanol; tetrahydrofuran / 2 h / Ambient temperature

3: 98 percent / imidazole / dimethylformamide / 1.) 0 deg C, 30 min; 2.) RT, 3 h

4: 1.) 9-BBN; 2.) 30percent H₂O₂, 3N NaOH / 1.) THF, 60 deg C, 40 min; 2.) THF/H₂O, 0 deg C, 30 min

5: N-bromoacetamide / benzene; pyridine / Ambient temperature

6: 88 percent / PPh₃, diisopropyl azodicarboxylate (DIAD) / tetrahydrofuran / 1.) 0 deg C, 1 h; 2.) RT, 1 h

7: 68 percent / 40percent aq. HF / acetonitrile / 1 h / Ambient temperature

With 1H-imidazole; sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; di-isopropyl azodicarboxylate; hydrogen fluoride; dihydrogen peroxide; magnesium; triphenylphosphine; N-bromoacetamide; In tetrahydrofuran; pyridine; methanol; N,N-dimethyl-formamide; acetonitrile; benzene;

Reference yield:

: 1119-51-3
bromopentene

: 205698-13-1
Thiobenzoic acid S-[5-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)-pentyl] ester

Guidance literature:: Multi-step reaction with 7 steps

1: 43 percent / 1.) Mg; 2.) CuCN / tetrahydrofuran / 1.) a.) 60 deg C, 1 h; b.) -45 deg C, 30 min; 2.) -45 to -40 deg C, 2.5 h

2: 75 percent / 1N NaOH / methanol; tetrahydrofuran / 2 h / Ambient temperature

3: 98 percent / imidazole / dimethylformamide / 1.) 0 deg C, 30 min; 2.) RT, 3 h

4: 1.) 9-BBN; 2.) 30percent H₂O₂, 3N NaOH / 1.) THF, 60 deg C, 40 min; 2.) THF/H₂O, 0 deg C, 30 min

5: N-bromoacetamide / benzene; pyridine / Ambient temperature

6: 88 percent / PPh₃, diisopropyl azodicarboxylate (DIAD) / tetrahydrofuran / 1.) 0 deg C, 1 h; 2.) RT, 1 h

7: 68 percent / 40percent aq. HF / acetonitrile / 1 h / Ambient temperature

With 1H-imidazole; sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; di-isopropyl azodicarboxylate; hydrogen fluoride; dihydrogen peroxide; magnesium; triphenylphosphine; N-bromoacetamide; In tetrahydrofuran; pyridine; methanol; N,N-dimethyl-formamide; acetonitrile; benzene;