2,4-Difluoro-3-cyanophenylboronic acid

Base Information

• Chemical Name: 2,4-Difluoro-3-cyanophenylboronic acid
• CAS No.: 871940-31-7
• Molecular Formula: C7H4BF2NO2
• Molecular Weight: 182.922
• Hs Code.: 2931900090
• Mol file: 871940-31-7.mol

Synonyms:(3-Cyano-2,4-difluorophenyl)boronic acid

Chemical Property of 2,4-Difluoro-3-cyanophenylboronic acid

Chemical Property:

• Melting Point: 132-133℃
• Boiling Point: 320.3±52.0 °C(Predicted)
• PKA: 7.05±0.58(Predicted)
• PSA: 64.25000
• Density: 1.44
• LogP: -0.48372
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2,4-Difluoro-3-cyanophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: suzuki reaction

Technology Process of 2,4-Difluoro-3-cyanophenylboronic acid

There total 2 articles about 2,4-Difluoro-3-cyanophenylboronic acid 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: 84.0%

Triisopropyl borate (5419-55-6) + 2,6 difluorobenzonitrile (1897-52-5) + water (7732-18-5) → 2,4-difluoro-3-cyanophenylboronic acid (871940-31-7)

Guidance literature:

2,6 difluorobenzonitrile; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

Triisopropyl borate; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

water; With hydrogenchloride; In tetrahydrofuran;

DOI:10.1039/c9dt04672k

Reference yield: 81.0%

2,6 difluorobenzonitrile (1897-52-5) → 2,4-difluoro-3-cyanophenylboronic acid (871940-31-7)

Guidance literature:

2,6 difluorobenzonitrile; With lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; n-heptane; ethylbenzene; at -78 ℃; for 1.66667h;

With Triisopropyl borate; In tetrahydrofuran; diethyl ether; n-heptane; ethylbenzene; at -78 ℃; for 1h;

With water; In tetrahydrofuran; diethyl ether; n-heptane; ethylbenzene; for 0.25h;

DOI:10.1021/jo200357e

Reference yield: 89.0%

N-methyliminodiacetic acid (4408-64-4) + 2,4-difluoro-3-cyanophenylboronic acid (871940-31-7) → 2,6-difluoro-3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile (1308400-81-8)

Guidance literature:

In dimethyl sulfoxide; toluene; for 4h; Reflux;

DOI:10.1021/jo200357e

upstream raw materials:

2,6 difluorobenzonitrile

Triisopropyl borate

water

Downstream raw materials:

2,6-difluoro-3-(pyridine-2-yl)benzonitrile

6-fluoro-2-hydroxy-3-(pyridin-2-yl)benzonitrile

2-fluoro-6-hydroxy-3-(pyridin-2-yl)benzonitrile

2,6-difluoro-3-(pyridin-2-yl)benzamide