1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

Base Information

• Chemical Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
• CAS No.: 1218790-53-4
• Molecular Formula: C11H16BF3N2O2
• Molecular Weight: 276.066
• Hs Code.: 2933199090
• Mol file: 1218790-53-4.mol

Synonyms:1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester;1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester >=97%;1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole;1H-Pyrazole, 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-

Chemical Property of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

Chemical Property:

• Melting Point: 99-100°C
• Boiling Point: 324.6±42.0 °C(Predicted)
• PKA: -0.87±0.10(Predicted)
• PSA: 36.28000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.73810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

1-?Methyl-?4-?(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?-?3-?(trifluoromethyl)?-1H-?Pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Useful boronic acid pinacol ester for synthesis of various bioactive small molecules. This product was previously listed as BML00234.

Technology Process of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

There total 1 articles about 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole 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:

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (61676-62-8) + 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (497832-99-2) → 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-53-4)

Guidance literature:

4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole; With n-butyllithium; In tetrahydrofuran; at -80 ℃; for 0.5h; Inert atmosphere;

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In tetrahydrofuran; at -80 ℃; for 0.5h;

Reference yield: 85.0%

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-53-4) + methyl 4-[(5-bromo-1-methylimidazole-2-carbonyl)amino]-2-ethylbenzoate → methyl 2-ethyl-4-[[1-methyl-5-[1-methyl-3-(trifluoromethyl)-pyrazol-4-yl]imidazole-2-carbonyl]amino]benzoate

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 100 ℃;

Reference yield:

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-53-4) + tert-butyl N-[2-[2-[[2-ethyl-4-[(3-iodoimidazo[1,2-a]pyrazin-8- yl)amino]benzoyl]amino]ethoxy]ethyl]carbamate → tert-butyl N-[2-[2-[[2-ethyl-4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]amino] ethoxy]ethyl]carbamate

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In 1,4-dioxane; water; at 110 ℃;

upstream raw materials:

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole

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