N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

Base Information

• Chemical Name: N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
• CAS No.: 939390-99-5
• Molecular Formula: C₃₃H₂₃F₁₀NO₃
• Molecular Weight: 671.535

Synonyms:

Chemical Property of N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

Chemical Property:

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

BMS795311 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

There total 10 articles about N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide 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: 96.0%

diiodomethane (75-11-6) + N-[(1R)-1-[3-(ethenyloxy)-4-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide → N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (939390-99-5)

Guidance literature:

diiodomethane; hexane; With diethylzinc; trifluoroacetic acid; In hexane; dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

N-[(1R)-1-[3-(ethenyloxy)-4-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide; In dichloromethane; at 0 - 20 ℃; for 21h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01363

Reference yield:

3-bromo-5-fluorophenol (433939-27-6) → N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (939390-99-5)

Guidance literature:

Multi-step reaction with 9 steps

1.1: caesium carbonate / dimethyl sulfoxide / 5 h / 50 °C / Inert atmosphere

1.2: 1 h / 50 °C / Inert atmosphere

2.1: n-butyllithium / hexane; diethyl ether / 0.75 h / -78 °C / Inert atmosphere

2.2: 2 h / -78 °C / Inert atmosphere

3.1: titanium(IV) tetraethanolate / tetrahydrofuran / 48 h / Inert atmosphere; Reflux

4.1: boron trifluoride diethyl etherate / diethyl ether; dichloromethane / 0.17 h / -78 °C / Inert atmosphere

4.2: 1.5 h / -78 °C / Inert atmosphere

5.1: hydrogenchloride / methanol; 1,4-dioxane / 0.17 h / 20 °C / Inert atmosphere

6.1: triethylamine / dichloromethane / 5 h / 20 °C / Inert atmosphere

7.1: boron tribromide / dichloromethane / 2 h / 20 °C / Inert atmosphere

8.1: caesium carbonate / tetrahydrofuran / 16 h / 65 °C / Inert atmosphere

8.2: 6.67 h / 0 - 7 °C / Inert atmosphere

9.1: trifluoroacetic acid; diethylzinc / hexane; dichloromethane / 0.25 h / 0 °C / Inert atmosphere

9.2: 21 h / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; titanium(IV) tetraethanolate; n-butyllithium; boron trifluoride diethyl etherate; diethylzinc; boron tribromide; caesium carbonate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; hexane; dichloromethane; dimethyl sulfoxide; 9.1: |Simmons-Smith Cyclopropanation / 9.2: |Simmons-Smith Cyclopropanation;

DOI:10.1021/acs.jmedchem.5b01363

Reference yield:

3,5-difluorobromobenzene (461-96-1) → N-[(1R)-1-(3-Cyclopropoxy-4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (939390-99-5)

Guidance literature:

Multi-step reaction with 10 steps

1.1: potassium trimethylsilonate / diethylene glycol dimethyl ether / 5 h / 120 °C / Inert atmosphere

2.1: caesium carbonate / dimethyl sulfoxide / 5 h / 50 °C / Inert atmosphere

2.2: 1 h / 50 °C / Inert atmosphere

3.1: n-butyllithium / hexane; diethyl ether / 0.75 h / -78 °C / Inert atmosphere

3.2: 2 h / -78 °C / Inert atmosphere

4.1: titanium(IV) tetraethanolate / tetrahydrofuran / 48 h / Inert atmosphere; Reflux

5.1: boron trifluoride diethyl etherate / diethyl ether; dichloromethane / 0.17 h / -78 °C / Inert atmosphere

5.2: 1.5 h / -78 °C / Inert atmosphere

6.1: hydrogenchloride / methanol; 1,4-dioxane / 0.17 h / 20 °C / Inert atmosphere

7.1: triethylamine / dichloromethane / 5 h / 20 °C / Inert atmosphere

8.1: boron tribromide / dichloromethane / 2 h / 20 °C / Inert atmosphere

9.1: copper diacetate; pyridine / dichloromethane / 48 h / 20 °C / Inert atmosphere

10.1: trifluoroacetic acid; diethylzinc / hexane; dichloromethane / 0.25 h / 0 °C / Inert atmosphere

10.2: 21 h / 0 - 20 °C / Inert atmosphere

With pyridine; hydrogenchloride; titanium(IV) tetraethanolate; n-butyllithium; boron trifluoride diethyl etherate; potassium trimethylsilonate; diethylzinc; copper diacetate; boron tribromide; caesium carbonate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; hexane; dichloromethane; diethylene glycol dimethyl ether; dimethyl sulfoxide; 10.1: |Simmons-Smith Cyclopropanation / 10.2: |Simmons-Smith Cyclopropanation;

DOI:10.1021/acs.jmedchem.5b01363

upstream raw materials:

(4-fluoro-3-methoxyphenyl)(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)methanone

(R)-N-((R)-1-(4-fluoro-3-methoxyphenyl)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-2-phenylethyl)-2-methylpropane-2-sulfinamide

4-fluoro-N-[(1R)-1-(4-fluoro-3-hydroxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzamide

3-bromo-5-fluorophenol

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