3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Base Information

• Chemical Name: 3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• CAS No.: 624741-47-5
• Molecular Formula: C13H15BFNO2
• Molecular Weight: 247.077
• Hs Code.: 2934999090
• Mol file: 624741-47-5.mol

Synonyms:3-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane;3-fluoro-2-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;

Chemical Property of 3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Chemical Property:

• Boiling Point: 354.0±32.0 °C(Predicted)
• PSA: 42.25000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.99658
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

There total 2 articles about 3-Fluoro-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 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: 62.0%

bis(pinacol)diborane (73183-34-3) + 2-bromo-3-fluorobenzonitrile (425379-16-4) → 3-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile (624741-47-5)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; dimethyl sulfoxide; at 90 ℃; for 18h;

Reference yield:

→ 3-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile (624741-47-5)

Guidance literature:

Reference yield: 64.0%

3-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile (624741-47-5) + 2-bromopyrimidine (4595-60-2) → 3-fluoro-2-(pyrimidin-2-yl)benzonitrile (1293285-05-8)

Guidance literature:

With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); sodium carbonate; In tetrahydrofuran; water; at 80 ℃; for 5.16667h; Inert atmosphere;

upstream raw materials:

bis(pinacol)diborane

2-bromo-3-fluorobenzonitrile

Downstream raw materials:

6,2'-difluoro-5'-[3-(2,4-difluorophenyl)-[1,2,4]triazin-5-yl]biphenyl-2-carbonitrile

3-fluoro-2-(pyrimidin-2-yl)benzonitrile

3-fluoro-2-(pyrimidin-2-yl)benzoic acid

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