3-Amino-4-fluorophenylboronic acid

Base Information

• Chemical Name: 3-Amino-4-fluorophenylboronic acid
• CAS No.: 873566-75-7
• Molecular Formula: C6H7BFNO2
• Molecular Weight: 154.936
• Hs Code.: 2916399090
• Mol file: 873566-75-7.mol

Synonyms:Boronicacid, (3-amino-4-fluorophenyl)- (9CI);3-Amino-4-fluorophenylboronic acid;

Chemical Property of 3-Amino-4-fluorophenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 345.974 °C at 760 mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 163.04 °C
• PSA: 66.48000
• Density: 1.343 g/cm³
• LogP: -0.33110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-4-fluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Amino-4-fluorophenylboronic acid

There total 4 articles about 3-Amino-4-fluorophenylboronic 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: 80.7%

(4-fluoro-3-nitro-phenyl)boronic acid (352530-22-4) → (3-amino-4-fluoro-phenyl)boronic acid (873566-75-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 55 ℃; Sealed tube;

Reference yield: 62.5%

tetrahydroxydiboron (13675-18-8) + 5-bromo-2-fluoroaniline (2924-09-6) → (3-amino-4-fluoro-phenyl)boronic acid (873566-75-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; triphenylphosphine; nickel dichloride; In ethanol; at 65 ℃; for 6h; Temperature; Inert atmosphere;

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → (3-amino-4-fluoro-phenyl)boronic acid (873566-75-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; N-Bromosuccinimide / 65 °C

2: iron; acetic acid / ethanol / 60 °C

3: triphenylphosphine; N-ethyl-N,N-diisopropylamine; nickel dichloride / ethanol / 6 h / 65 °C / Inert atmosphere

With N-Bromosuccinimide; sulfuric acid; iron; acetic acid; N-ethyl-N,N-diisopropylamine; triphenylphosphine; nickel dichloride; In ethanol;

upstream raw materials:

ortho-nitrofluorobenzene

tetrahydroxydiboron

5-bromo-2-fluoroaniline

1-Bromo-4-fluorobenzene

Downstream raw materials:

3-(methanesulfonylamino)-4-fluoro-phenylboronic acid

(4S,5R)-3-{[3'-amino-4'-fluoro-4-(trifluoromethyl)biphenyl-2-yl]methyl}-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

3-[(3R)-N-tert-butoxycarbonylpiperidin-3-ylcarbonylamino]-4-fluorophenylboronic acid

(4S,5R)-3-{[5-(3-amino-4-fluorophenyl)-2-(methylsulfanyl)pyrimidin-4-yl]methyl}-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one