(11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

Base Information

Chemical Name:(11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate
CAS No.:1257086-27-3
Molecular Formula:C₃₅H₃₃ClFNO₆S₂
Molecular Weight:682.234
Hs Code.:

Synonyms:(11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

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Chemical Property of (11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

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Technology Process of (11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

There total 2 articles about (11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate 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: 14.0%

: 1257087-40-3
4-[(3-acetoxy-4-chlorophenyl)thio]benzoic acid

: 80473-91-2
9α-fluoro-11β,17α-dihydroxy-3-oxoandrosta-1,4-diene-17β-carbothioic acid

: 590-17-0
cyanomethyl bromide

: 1257086-27-3
(11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

Guidance literature:: 4-[(3-acetoxy-4-chlorophenyl)thio]benzoic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 5 ℃; Inert atmosphere;

9α-fluoro-11β,17α-dihydroxy-3-oxoandrosta-1,4-diene-17β-carbothioic acid; In N,N-dimethyl-formamide; at 20 ℃;

cyanomethyl bromide;

Reference yield:

: 174913-12-3
1-bromo-3-chloro-5-methoxybenzene

: 1257086-27-3
(11β,17α)-17-{[(cyanomethyl)thio]carbonyl}-9-fluoro-11-hydroxy-3-oxoandrosta-1,4-dien-17-yl 4-[(4-chloro-3-hydroxyphenyl)thio]benzoate

Guidance literature:: Multi-step reaction with 6 steps

1.1: iodine; magnesium / tetrahydrofuran / 3 h / 20 °C / Inert atmosphere; Reflux

2.1: copper(I) oxide; caesium carbonate / acetonitrile / 16 h / 20 °C / Reflux; Inert atmosphere

3.1: sodium hydroxide / ethanol; water / 16 h / 20 °C / Reflux

3.2: 20 °C

4.1: hydrogen bromide / water; acetic acid / 16 h / 20 - 135 °C

5.1: pyridine / dichloromethane / 6 h / 5 - 20 °C

6.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 5 °C / Inert atmosphere

6.2: 20 °C

With pyridine; copper(I) oxide; hydrogen bromide; iodine; caesium carbonate; magnesium; N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; acetic acid; N,N-dimethyl-formamide; acetonitrile;