N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride

Base Information

• Chemical Name: N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride
• CAS No.: 1109230-71-8
• Molecular Formula: C₃₇H₄₁ClF₅N₃O₃*ClH
• Molecular Weight: 742.657

Synonyms:N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride

Chemical Property of N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride

There total 9 articles about N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride 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:

N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (1109230-68-3) → N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride (1109230-71-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; diethyl ether; at 20 ℃; Inert atmosphere;

Reference yield:

4-heptanone (123-19-3) → N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride (1109230-71-8)

Guidance literature:

Multi-step reaction with 9 steps

1: sodium tris(acetoxy)borohydride; acetic acid / 1,2-dichloro-ethane / 20 h / 20 °C

2: triethylamine / tetrahydrofuran / 4.17 h / 0 - 20 °C / Inert atmosphere

3: dmap; trifluoromethylsulfonic anhydride / dichloromethane / 20.75 h / 0 - 20 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 20 h / 70 °C

5: hydrogen / palladium / methanol / 2.33 h / 25 °C / 1500.15 Torr

6: n-Butyl nitrite; copper dichloride / acetonitrile / 3.5 h / 0 - 20 °C

7: water; sodium hydroxide / 1,4-dioxane / 1 h / 60 °C

8: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 15 h / 20 °C / Inert atmosphere

9: hydrogenchloride / 1,4-dioxane; diethyl ether / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; 1-hydroxy-7-aza-benzotriazole; n-Butyl nitrite; trifluoromethylsulfonic anhydride; water; hydrogen; sodium tris(acetoxy)borohydride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium hydroxide; copper dichloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

N-[2-(2-bromophenyl)ethyl]heptan-4-amine (1109229-81-3) → N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide hydrochloride (1109230-71-8)

Guidance literature:

Multi-step reaction with 8 steps

1: triethylamine / tetrahydrofuran / 4.17 h / 0 - 20 °C / Inert atmosphere

2: dmap; trifluoromethylsulfonic anhydride / dichloromethane / 20.75 h / 0 - 20 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 20 h / 70 °C

4: hydrogen / palladium / methanol / 2.33 h / 25 °C / 1500.15 Torr

5: n-Butyl nitrite; copper dichloride / acetonitrile / 3.5 h / 0 - 20 °C

6: water; sodium hydroxide / 1,4-dioxane / 1 h / 60 °C

7: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 15 h / 20 °C / Inert atmosphere

8: hydrogenchloride / 1,4-dioxane; diethyl ether / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; 1-hydroxy-7-aza-benzotriazole; n-Butyl nitrite; trifluoromethylsulfonic anhydride; water; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium hydroxide; copper dichloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

upstream raw materials:

N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}amino)propyl]-7-chloro-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

4-heptanone

N-[2-(2-bromophenyl)ethyl]heptan-4-amine

5-bromo-2-(1-propylbutyl)-3,4-dihydroisoquinolin-1(2H)-one

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