2,6-difluoro-N'-hydroxybenzenecarboximidamide

Base Information

• Chemical Name: 2,6-difluoro-N'-hydroxybenzenecarboximidamide
• CAS No.: 296766-98-8
• Molecular Formula: C7H6F2N2O
• Molecular Weight: 172.134
• DSSTox Substance ID: DTXSID00393000
• Mol file: 296766-98-8.mol

Synonyms:2,6-difluoro-N'-hydroxybenzenecarboximidamide;DTXSID00393000;NIVIFIAMPVFPHJ-UHFFFAOYSA-N;2,6-difluoro-N-hydroxybenzenecarboximidamide;2,6-difluoro-N-hydroxybenzene-carboximidamide;2,6-difluoro-N-hydroxybenzene-1-carboximidamide

Chemical Property of 2,6-difluoro-N'-hydroxybenzenecarboximidamide

Chemical Property:

• Boiling Point: 301.2 °C at 760 mmHg
• Flash Point: 135.9 °C
• PSA: 56.11000
• Density: 1.41 g/cm³
• LogP: 1.75960
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.04481914
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-N-hydroxy-benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=NO)N)F

Technology Process of 2,6-difluoro-N'-hydroxybenzenecarboximidamide

There total 2 articles about 2,6-difluoro-N'-hydroxybenzenecarboximidamide 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: 85.0%

2,6 difluorobenzonitrile (1897-52-5) → N-hydroxy-2,6-difluorobenzimidamide (296766-98-8)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethyl acetate; at 80 ℃; for 4h;

Reference yield: 84.0%

→ N-hydroxy-2,6-difluorobenzimidamide (296766-98-8)

Guidance literature:

Reference yield: 87.0%

1-ethyl-3-tert-butyl-4-H-pyrazole chloride (167889-79-4) + N-hydroxy-2,6-difluorobenzimidamide (296766-98-8) → C17H18F2N4O

Guidance literature:

With triethylamine; In toluene; at 20 ℃; for 9h; Heating;

upstream raw materials:

2,6 difluorobenzonitrile

Downstream raw materials:

3-bromo-N-(2-(3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl)-4-chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide