(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

Base Information

Chemical Name:(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride
CAS No.:1311373-90-6
Molecular Formula:C₃₈H₄₄ClF₃N₅O₅S₂*Cl
Molecular Weight:842.831
Hs Code.:

(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

Synonyms:(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

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Chemical Property of (R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

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Technology Process of (R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

There total 22 articles about (R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane 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: 71.0%

: 1311374-54-5
(R)-1-(3-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluoro-N-(1-methoxy-1-oxopropan-2-yl)phenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane bromide

: 1311373-90-6
(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

Guidance literature:: (R)-1-(3-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluoro-N-(1-methoxy-1-oxopropan-2-yl)phenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane bromide; With lithium hydroxide; In acetonitrile; for 1.5h;

With hydrogenchloride; In acetonitrile; pH=0;

Reference yield:

: 16817-43-9
5-Bromo-2-chloroanisole

: 1311373-90-6
(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

Guidance literature:: Multi-step reaction with 18 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 / 1.5 h / Reflux

15.2: 0.75 h / 0 °C

16.1: potassium carbonate / acetonitrile / 4 h / 60 °C

17.1: acetonitrile / 3 h / 60 °C

18.1: lithium hydroxide / acetonitrile / 1.5 h

18.2: pH 0

With hydrogenchloride; dmap; n-butyllithium; thionyl chloride; sodium azide; tetra-n-butylammonium tribromide; diphenyl phosphoryl azide; potassium trimethylsilonate; hydrogen; potassium carbonate; 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; lithium hydroxide; sodium nitrite; platinum(IV) oxide; In tetrahydrofuran; methanol; hexane; dichloromethane; tert-butyl methyl ether; water; N,N-dimethyl-formamide; toluene; acetonitrile;

Reference yield:

: 850564-15-7
2-(4-Chloro-3-methoxy-phenyl)-2-methyl-propionitrile

: 1311373-90-6
(R)-1-(3-(N-(1-carboxyethyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride

Guidance literature:: Multi-step reaction with 17 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 / 1.5 h / Reflux

14.2: 0.75 h / 0 °C

15.1: potassium carbonate / acetonitrile / 4 h / 60 °C

16.1: acetonitrile / 3 h / 60 °C

17.1: lithium hydroxide / acetonitrile / 1.5 h

17.2: pH 0

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