Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Base Information

• Chemical Name: Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
• CAS No.: 1454682-74-6
• Molecular Formula: C₂₀H₃₂BFN₂O₃
• Molecular Weight: 378.295
• Mol file: 1454682-74-6.mol

Synonyms:1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

Chemical Property of Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Chemical Property:

• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

There total 9 articles about Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- 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: 91.3%

prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (1454682-73-5) + 3,3-dimethylbutan-1-amine hydrochloride (30564-98-8) → 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (1454682-74-6)

Guidance literature:

prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate; With sodium hydrogencarbonate; phenyl chloroformate; In tetrahydrofuran; at 0 - 60 ℃; Inert atmosphere;

3,3-dimethylbutan-1-amine hydrochloride; With triethylamine; In toluene; at 20 - 90 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b00067

Reference yield: 88.0%

3,3-dimethylbutylamine (15673-00-4) + prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (1454682-73-5) → 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (1454682-74-6)

Guidance literature:

With 1-Methylpyrrolidine; In 1,4-dioxane; at 75 ℃;

Reference yield: 39.0%

1-(5-bromo-2-fluoro-4-methylphenyl)-3-(3,3-dimethylbutyl)urea + bis(pinacol)diborane (73183-34-3) → 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (1454682-74-6)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; for 113h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.1c00063

upstream raw materials:

2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

3,3-dimethylbutan-1-amine hydrochloride

phenyl chloroformate

3,3-dimethylbutylamine

Downstream raw materials:

1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)urea

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