4-Amino-3-bromo-5-fluorobenzonitrile

Base Information

• Chemical Name: 4-Amino-3-bromo-5-fluorobenzonitrile
• CAS No.: 874880-58-7
• Molecular Formula: C7H4BrFN2
• Molecular Weight: 215.025
• Hs Code.: 2926907090
• Mol file: 874880-58-7.mol

Synonyms:4-Amino-3-bromo-5-fluorobenzonitrile;4-Amino-5-bromo-3-fluorobenzonitrile

Chemical Property of 4-Amino-3-bromo-5-fluorobenzonitrile

Chemical Property:

• Boiling Point: 276.6±40.0 °C(Predicted)
• PKA: -1.73±0.10(Predicted)
• PSA: 49.81000
• Density: 1.77±0.1 g/cm3(Predicted)
• LogP: 2.62328
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

4-Amino-3-bromo-5-fluorobenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Amino-3-bromo-5-fluorobenzonitrile

There total 1 articles about 4-Amino-3-bromo-5-fluorobenzonitrile 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: 81.0%

4-cyano-2-fluoroaniline (63069-50-1) → 4-amino-3-bromo-5-fluorobenzonitrile (874880-58-7)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 15h; Inert atmosphere;

Reference yield:

4-amino-3-bromo-5-fluorobenzonitrile (874880-58-7) → 3-bromo-5-fluoro-4-nitrobenzonitrile (1310918-28-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; at 60 ℃;

Reference yield:

4-amino-3-bromo-5-fluorobenzonitrile (874880-58-7) → 3-bromo-5-(((3-(3-ethoxyphenyl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)amino)-4-nitrobenzonitrile (1416324-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dihydrogen peroxide; acetic acid / water / 60 °C

2: potassium carbonate / acetonitrile / 18 h / 40 °C

With dihydrogen peroxide; potassium carbonate; acetic acid; In water; acetonitrile;

upstream raw materials:

4-cyano-2-fluoroaniline

Downstream raw materials:

3-bromo-5-fluoro-4-nitrobenzonitrile

3-bromo-5-(((3-(3-ethoxyphenyl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)amino)-4-nitrobenzonitrile

4-bromo-1-((3-(3-ethoxyphenyl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile

Refernces

• 1、 -. "TRPV4 ANTAGONISTS". Page/Page column 77. . Retrieved 2013/02/28.