(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

Base Information

Chemical Name:(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester
CAS No.:1399259-86-9
Molecular Formula:C₃₅H₃₆F₃NO₅S₂
Molecular Weight:671.802
Hs Code.:

(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

Synonyms:(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

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Chemical Property of (4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

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Technology Process of (4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

There total 6 articles about (4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl 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: 12.6%

: 373-52-4
bromofluoromethane

: 1399259-84-7
(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-4a,4b,5,6,6a,6b,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthren-2-one

: 1399259-86-9
(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

Guidance literature:: (4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-4a,4b,5,6,6a,6b,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthren-2-one; With 4-methyl-morpholine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

With sodium hydrogen sulfide; In N,N-dimethyl-formamide; at 20 ℃; for 0.75h;

bromofluoromethane; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

: difluprednate

: 1399259-86-9
(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium acetate / N,N-dimethyl-formamide / 1.5 h / 100 °C / Inert atmosphere

2.1: Candida Antarctica Lipase / ethanol / 37 °C / Enzymatic reaction

3.1: ethanol / 1.5 h / 105 °C / microwave irradiation

4.1: sodium hydroxide / water; tetrahydrofuran / 24 h / 20 °C

4.2: pH 5 - 6

5.1: 4-methyl-morpholine; HATU / N,N-dimethyl-formamide / 1.5 h / 20 °C

5.2: 0.75 h / 20 °C

5.3: 20 °C

With 4-methyl-morpholine; potassium acetate; HATU; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

Reference yield:

: 2326-26-3
acetic acid 2-((6S,8S,9R,10S,11S,13S,14S)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthrene-17-yl)-2-oxo-ethyl ester

: 1399259-86-9
(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-8-[4-(4-hydroxy-phenylsulfanylmethyl)-phenyl]-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: Candida Antarctica Lipase / ethanol / 37 °C / Enzymatic reaction

2.1: ethanol / 1.5 h / 105 °C / microwave irradiation

3.1: sodium hydroxide / water; tetrahydrofuran / 24 h / 20 °C

3.2: pH 5 - 6

4.1: 4-methyl-morpholine; HATU / N,N-dimethyl-formamide / 1.5 h / 20 °C

4.2: 0.75 h / 20 °C

4.3: 20 °C

With 4-methyl-morpholine; HATU; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;