Pyrifenox E-isomer

Base Information

• Chemical Name: Pyrifenox E-isomer
• CAS No.: 83227-22-9
• Molecular Formula: C₁₄H₁₂Cl₂N₂O
• Molecular Weight: 295.168
• European Community (EC) Number: 618-138-0
• UNII: U79DJ2571L
• DSSTox Substance ID: DTXSID60232229
• Nikkaji Number: J134.963E
• Wikidata: Q27265864
• Mol file: 83227-22-9.mol

Synonyms:2',4'-dichloro-2-(3-pyridyl)acetophenone(E,Z)-O-methyloxime;pyrifenox

Chemical Property of Pyrifenox E-isomer

Chemical Property:

• Boiling Point: approximate 212℃
• PKA: 4.38±0.12(Predicted)
• PSA: 34.48000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 3.98160
• Storage Temp.: 0-6°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 294.0326684
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

99%min ^*data from raw suppliers

(E)-Pyrifenox ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl
• Isomeric SMILES: CO/N=C(\CC1=CN=CC=C1)/C2=C(C=C(C=C2)Cl)Cl
• Uses: (E)-Pyrifenox is used as a fungicide in the treatment of Penicillium digitatum. Pesticidal agent.

Technology Process of Pyrifenox E-isomer

There total 2 articles about Pyrifenox E-isomer 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:

2',4'-dichloro-2-(pyridin-3-yl)-acetophenone (83227-42-3) + N-methoxylamine hydrochloride (593-56-6) → [1-(2,4-dichlorophenyl)-2-(pyridin-3-yl)ethylidene](methoxy)amine (88283-41-4,83227-22-9)

Guidance literature:

With sodium carbonate; In ethanol;

Reference yield:

→ Z-Pyrifenox (83227-22-9)

Guidance literature:

upstream raw materials:

2',4'-dichloro-2-(pyridin-3-yl)-acetophenone

N-methoxylamine hydrochloride

Refernces

• 1、 -. "Pyrazolyl benzyl ether derivatives containing a fluoromethoxyimino group and use thereof as pesticides". . . Retrieved 2008/06/13.
• 2、 -. "2-and 2,5-substituted phenylketoenols". . . Retrieved 2008/06/13.