Flucofuron

Base Information

• Chemical Name: Flucofuron
• CAS No.: 370-50-3
• Molecular Formula: C15H8 Cl2 F6 N2 O
• Molecular Weight: 417.138
• Hs Code.: 2924299090
• European Community (EC) Number: 206-728-7
• UNII: U3V3S70655
• DSSTox Substance ID: DTXSID50891521
• Nikkaji Number: J93.700B
• Wikidata: Q27126562
• Metabolomics Workbench ID: 60494
• ChEMBL ID: CHEMBL530543
• Mol file: 370-50-3.mol

Synonyms:flucofuron;N,N'-bis(4-chloro-3-trifluoromethyl)phenyl urea

Chemical Property of Flucofuron

Chemical Property:

• Vapor Pressure: 8.9E-05mmHg at 25°C
• Melting Point: 231-232 °C
• Boiling Point: 339.9°Cat760mmHg
• PKA: 12.34±0.70(Predicted)
• Flash Point: 159.4°C
• PSA: 41.13000
• Density: 1.599g/cm³
• LogP: 6.82100
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 415.9917872
• Heavy Atom Count: 26
• Complexity: 460

Purity/Quality:

99%, ^*data from raw suppliers

N,N''-Bis[4-chloro-3-trifluoromethylphenyl]urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl
• Uses: Flucofuron is used as a pesticide for having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda.

Technology Process of Flucofuron

There total 8 articles about Flucofuron 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: 66.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-chloro-3-(trifluoromethyl)phenyl)urea (370-50-3)

Guidance literature:

bis(trichloromethyl) carbonate; 4-chloro-3-trifluoromethyl-aniline; at 20 ℃; for 0.5h;

4-chloro-3-trifluoromethyl-aniline; With triethylamine;

DOI:10.1016/j.bmcl.2016.01.075

Reference yield: 60.0%

→ 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-chloro-3-(trifluoromethyl)phenyl)urea (370-50-3)

Guidance literature:

In 1,4-dioxane; at 55 ℃; Inert atmosphere;

Reference yield: 59.0%

4-chloro-3-(trifluoromethyl)phenyl isocyanate (327-78-6) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-chloro-3-(trifluoromethyl)phenyl)urea (370-50-3)

Guidance literature:

In 1,4-dioxane; at 55 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2011.10.126

upstream raw materials:

4-chloro-3-(trifluoromethyl)phenyl isocyanate

4-chloro-3-trifluoromethyl-aniline

phenyl chloroformate

urea

Refernces

• 1、 -. "COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY". Paragraph 0111; 0117. . Retrieved 2018/07/29.
• 2、 Yao, Houzong,Liu, Fengyou,Chen, Jinglei,Li, Yan,Cui, Jinhao,Qiao, Chunhua. "Antischistosomal activity of N,N′-arylurea analogs against Schistosoma japonicum". supporting information. p. 1386 - 1390. Retrieved 2016/02/19.