3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate

Base Information

• Chemical Name: 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate
• CAS No.: 1613300-98-3
• Molecular Formula: C₁₄H₁₃F₅N₂O₄S
• Molecular Weight: 400.326
• Mol file: 1613300-98-3.mol

Synonyms:3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate

Chemical Property of 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate

There total 2 articles about 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate 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:

trifluoromethylsulfonic anhydride (358-23-6) + 3,5-difluoro-4-[1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]phenol (1613300-97-2) → 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate (1613300-98-3)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol (1082503-77-2) → 3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate (1613300-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,6-di-tert-butyl-4-methyl-phenol; tricyclohexylphosphine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate / 1,4-dioxane; water / 1 h / 100 °C / Microwave irradiation; Inert atmosphere

2: triethylamine / dichloromethane

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,6-di-tert-butyl-4-methyl-phenol; potassium carbonate; triethylamine; tricyclohexylphosphine; In 1,4-dioxane; dichloromethane; water;

Reference yield:

3,5-difluoro-4-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)phenyl trifluoromethanesulfonate (1613300-98-3) + bis(pinacol)diborane (73183-34-3) → 1-{4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]pyrazol-1-yl}-2-methylpropan-2-ol (1613300-99-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 100 ℃; for 4h; Microwave irradiation; Sealed tube; Inert atmosphere;

upstream raw materials:

2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol

trifluoromethylsulfonic anhydride

3,5-difluoro-4-[1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]phenol

Downstream raw materials:

1-{4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]pyrazol-1-yl}-2-methylpropan-2-ol

Refernces

• 1、 -. "NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS". . . Retrieved 2014/06/24.