Bixafen|

Base Information

• Chemical Name: Bixafen|
• CAS No.: 581809-46-3
• Deprecated CAS: 1023697-71-3,1135441-87-0,1195088-55-1
• Molecular Formula: C18H12Cl2F3N3O
• Molecular Weight: 414.214
• European Community (EC) Number: 642-423-9
• UNII: 28XK2L8M3B
• DSSTox Substance ID: DTXSID6058134
• Nikkaji Number: J3.173.240I
• Wikidata: Q2040219
• Mol file: 581809-46-3.mol

Synonyms:N-(3 inverted exclamation marka,4 inverted exclamation marka-Dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;N-(3,4-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;Bixafen [ISO];3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (3',4'-dichloro-5-fluoro-1,1'-biphenyl-2-yl)-amide;N-(3',4'-dichloro-5-fluoro [1,1'-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;N-(3’,4’-dichloro-5-fluoro[1,1’-biphenyl]-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide;N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;N-(3’,4’-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;

Chemical Property of Bixafen|

Chemical Property:

• Boiling Point: 474.7±45.0 °C(Predicted)
• PKA: 10.82±0.70(Predicted)
• PSA: 46.92000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 5.79590
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 413.0309519
• Heavy Atom Count: 27
• Complexity: 530

Purity/Quality:

Bixafen ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

Technology Process of Bixafen|

There total 24 articles about Bixafen| 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: 99.9%

ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (141573-95-7) + 3′,4′-dichloro-5-fluorobiphenyl-2-amine (877179-04-9) → bixafen (581809-46-3)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; N,N-dimethyl-formamide; at 40 ℃; for 0.0166667h;

DOI:10.1002/ejoc.201700992

Reference yield: 99.0%

3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride (141573-96-8) + 3′,4′-dichloro-5-fluorobiphenyl-2-amine (877179-04-9) → bixafen (581809-46-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In toluene; at 60 ℃; for 4h; Temperature; Reagent/catalyst; Solvent;

Reference yield: 91.0%

3-difluoromethyl-N-(2-iodo-4-fluorophenyl)-1-methyl-1-piperazole-4-amide (1005482-26-7) + 3,4-dichlophenylboronic acid (151169-75-4) → bixafen (581809-46-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; Reflux; Inert atmosphere;

upstream raw materials:

3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride

3′,4′-dichloro-5-fluorobiphenyl-2-amine

4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

carbon monoxide