Fenoxanil

Base Information

• Chemical Name: Fenoxanil
• CAS No.: 115852-48-7
• Molecular Formula: C15H18Cl2N2O2
• Molecular Weight: 329.226
• Hs Code.: 29269090
• European Community (EC) Number: 601-390-0
• UNII: VES28A6VJ5
• DSSTox Substance ID: DTXSID2057942
• Nikkaji Number: J1.535.385F
• Wikidata: Q19279547
• Mol file: 115852-48-7.mol

Synonyms:Fenoxanil;115852-48-7;Fenoxanil [ISO];N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide;VES28A6VJ5;Fenoxanil 10 microg/mL in Acetonitrile;Propanamide, N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-;UNII-VES28A6VJ5;MAGNAPORTHE AMIDE;FENOXANIL [MI];N-(1-Cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)propionamide;SCHEMBL21094;DTXSID2057942;CHEBI:84016;NNF-9425;MFCD06798290;AKOS015888205;AS-15239;AC-382042;AC-901216;CL-382042;WL-378309;FT-0766957;NS00023750;Fenoxanil, PESTANAL(R), analytical standard;C18519;A926523;J-003327;Q19279547;n-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-propanamide;1135442-82-8

Chemical Property of Fenoxanil

Chemical Property:

• Vapor Pressure: 2.54E-10mmHg at 25°C
• Melting Point: 69.0-71.5°
• Refractive Index: 1.529
• Boiling Point: 504.929 °C at 760 mmHg
• PKA: 11.44±0.46(Predicted)
• Flash Point: 259.172 °C
• PSA: 62.12000
• Density: 1.222 g/cm³
• LogP: 4.20608
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly), Methanol (Very Slightly, Sonicated)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 328.0745332
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Fenoxanil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C#N)NC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl
• Uses: Agricultural fungicide. Fenoxanil (cas# 115852-48-7) is an amide fungicide

Technology Process of Fenoxanil

There total 4 articles about Fenoxanil 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: 88.0%

(R)-2-(2,4-dichlorophenoxy)propionyl chloride (143839-64-9) → N-(1-cyano-1,2-dimethyl-propyl)-2-(2,4-dichlorophenoxy)-propionamide (115852-48-7)

Guidance literature:

With sodium hydroxide; In water; toluene;

Reference yield:

2-amino-2,3-dimethylbutyronitrile (13893-53-3) + (R)-2-(2,4-dichlorophenoxy)propionyl chloride (143839-64-9) → N-(1-cyano-1,2-dimethyl-propyl)-2-(2,4-dichlorophenoxy)-propionamide (115852-48-7)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water; toluene;

Reference yield:

(S)-2-amino-2,3-dimethylbutyronitrile (90376-99-1) + (R)-3-(2,4-dichlorophenoxy)propionyl chloride → N-(1-cyano-1,2-dimethyl-propyl)-2-(2,4-dichlorophenoxy)-propionamide (115852-48-7)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water; toluene;

upstream raw materials:

(R)-2-(2,4-dichlorophenoxy)propionyl chloride

2-amino-2,3-dimethylbutyronitrile

(S)-2-amino-2,3-dimethylbutyronitrile

3-methyl-butan-2-one

Refernces

• 1、 -. "Process for the manufacture of N-(1-cyanoalkyl)-2-phenoxypropionamide derivatives". . . Retrieved 2008/06/13.