(S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride

Base Information

• Chemical Name: (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride
• CAS No.: 1311374-49-8
• Molecular Formula: C₃₅H₄₁ClF₃N₄O₅S₂*Cl
• Molecular Weight: 789.768

Synonyms:(S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride

Chemical Property of (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride

Chemical Property:

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

Technology Process of (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride

There total 20 articles about (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride 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:

4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenesulfonic acid (1239957-03-9) + (S)-4-amino-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride hydrochloride (1311374-58-9) → (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride (1311374-49-8)

Guidance literature:

4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenesulfonic acid; With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 40 ℃; for 1h;

(S)-4-amino-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride hydrochloride; With sodium carbonate; In water; acetonitrile; for 0.166667h;

Reference yield:

5-Bromo-2-chloroanisole (16817-43-9) → (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride (1311374-49-8)

Guidance literature:

Multi-step reaction with 15 steps

1.1: n-butyllithium; N-cyclohexyl-cyclohexanamine / toluene; hexane / 0.33 h / 0 - 15 °C / Inert atmosphere

1.2: 25 °C / Inert atmosphere

2.1: potassium trimethylsilonate / tert-butyl methyl ether; tetrahydrofuran / 2 h / 50 °C / Inert atmosphere

2.2: pH 1

3.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 3 h

4.1: tetrahydrofuran / 2 h / -78 - 20 °C

5.1: tetra-n-butylammonium tribromide / dichloromethane; methanol / 3 h / 0 - 20 °C

6.1: sodium azide / N,N-dimethyl-formamide / 2 h / 0 - 20 °C

7.1: hydrogenchloride; hydrogen / platinum(IV) oxide / methanol / 5 h / 3361.55 Torr

8.1: triethylamine / dichloromethane / 1 h / 0 - 20 °C

9.1: acetic acid / 4 h / Reflux

10.1: caesium carbonate / acetonitrile / 2 h

11.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C

12.1: N-ethyl-N,N-diisopropylamine; diphenyl phosphoryl azide / toluene / 0 - 80 °C

13.1: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C

14.1: hydrogenchloride; sodium nitrite; acetic acid / water / 4 - 6 °C

14.2: 1.33 h / 5 °C

15.1: N,N-dimethyl-formamide; thionyl chloride / dichloromethane / 1 h / 40 °C

15.2: 0.17 h

With hydrogenchloride; dmap; n-butyllithium; thionyl chloride; sodium azide; tetra-n-butylammonium tribromide; diphenyl phosphoryl azide; potassium trimethylsilonate; hydrogen; caesium carbonate; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; N-cyclohexyl-cyclohexanamine; trifluoroacetic acid; sodium nitrite; platinum(IV) oxide; In tetrahydrofuran; methanol; hexane; dichloromethane; tert-butyl methyl ether; water; N,N-dimethyl-formamide; toluene; acetonitrile;

Reference yield:

2-(4-Chloro-3-methoxy-phenyl)-2-methyl-propionitrile (850564-15-7) → (S)-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-5-methoxy-N,N,N-trimethyl-5-oxopentan-1-aminium chloride (1311374-49-8)

Guidance literature:

Multi-step reaction with 14 steps

1.1: sulfuric acid / 20 h / Reflux

2.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 3 h

3.1: tetrahydrofuran / 2 h / -78 - 20 °C

4.1: tetra-n-butylammonium tribromide / dichloromethane; methanol / 3 h / 0 - 20 °C

5.1: sodium azide / N,N-dimethyl-formamide / 2 h / 0 - 20 °C

6.1: hydrogenchloride; hydrogen / platinum(IV) oxide / methanol / 5 h / 3361.55 Torr

7.1: triethylamine / dichloromethane / 1 h / 0 - 20 °C

8.1: acetic acid / 4 h / Reflux

9.1: caesium carbonate / acetonitrile / 2 h

10.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C

11.1: N-ethyl-N,N-diisopropylamine; diphenyl phosphoryl azide / toluene / 0 - 80 °C

12.1: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C

13.1: hydrogenchloride; sodium nitrite; acetic acid / water / 4 - 6 °C

13.2: 1.33 h / 5 °C

14.1: N,N-dimethyl-formamide; thionyl chloride / dichloromethane / 1 h / 40 °C

14.2: 0.17 h

With hydrogenchloride; dmap; thionyl chloride; sodium azide; tetra-n-butylammonium tribromide; sulfuric acid; diphenyl phosphoryl azide; hydrogen; caesium carbonate; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; trifluoroacetic acid; sodium nitrite; platinum(IV) oxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene; acetonitrile;

upstream raw materials:

3,5-difluorobenzoic acid

5-Bromo-2-chloroanisole

tert-butyl 4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylcarbamate

4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorobenzenamine

Downstream raw materials:

(S)-4-carboxy-4-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluoro-N-methylphenylsulfonamido)-N,N,N-trimethylbutan-1-aminium 2,2,2-trifluoroacetate

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