Penflufen

Base Information

• Chemical Name: Penflufen
• CAS No.: 494793-67-8
• Deprecated CAS: 1135441-90-5
• Molecular Formula: C18H24FN3O
• Molecular Weight: 317.406
• European Community (EC) Number: 619-823-7
• UNII: 8252E275KT
• DSSTox Substance ID: DTXSID9058107
• Nikkaji Number: J2.802.151H
• Wikidata: Q16736519
• Mol file: 494793-67-8.mol

Synonyms:2'-((RS)-1,3-dimethylbutyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide;penflufen

Chemical Property of Penflufen

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 381.002oC at 760 mmHg
• PKA: 11.69±0.70(Predicted)
• Flash Point: 184.224oC
• PSA: 50.41000
• Density: 1.128g/cm3
• LogP: 4.65350
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 317.19034056
• Heavy Atom Count: 23
• Complexity: 404

Purity/Quality:

99.9% ^*data from raw suppliers

Penflufen PESTANAL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 12363231
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C
• Uses: Penflufen fungicidal compounds for controlling or preventing infestation of plants by phytopathogenic microorganisms.

Technology Process of Penflufen

There total 13 articles about Penflufen 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: 97.0%

N-(2-((1E/Z)-1,3-dimethylbut-1-en-1-yl)phenyl)-1,3-dimethyl-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide (908375-20-2) → penflufen (494793-67-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 40 ℃; for 19h; under 37503.8 Torr; Product distribution / selectivity;

Reference yield: 93.6%

5-fluoro-N-(2-(1-hydroxy-1,3-dimethylbutyl)phenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide (494794-02-4) → penflufen (494793-67-8)

Guidance literature:

With sulfuric acid; hydrogen; palladium(II) hydroxide/carbon; In tetrahydrofuran; water; at 90 ℃; for 16h; under 3750.38 Torr; Product distribution / selectivity;

Reference yield: 89.0%

5-fluoro-1,3-dimethylpyrazole-4-carboxamide + 1-bromo-2-(1,3-dimethylbutyl)benzene (1001328-46-6) → penflufen (494793-67-8)

Guidance literature:

With copper(l) iodide; potassium carbonate; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In toluene; for 24h; Reflux; Inert atmosphere;

upstream raw materials:

N-(2-((1E/Z)-1,3-dimethylbut-1-en-1-yl)phenyl)-1,3-dimethyl-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide

2-(5-fluoro-1,3-dimethyl-1H-pyrazol-4-yl)-4-isobutyl-4-methyl-4H-3,1-benzoxazine

5-fluoro-1,3-dimethyl-N-(2-(3-methyl-1-methylenebutyl)phenyl)-1H-pyrazole-4-carboxamide

5-fluoro-N-(2-(1-hydroxy-1,3-dimethylbutyl)phenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide