Fluometuron

Base Information

• Chemical Name: Fluometuron
• CAS No.: 2164-17-2
• Molecular Formula: C10H11F3N2O
• Molecular Weight: 232.205
• Hs Code.: 3808931100
• European Community (EC) Number: 218-500-4
• UNII: 296378G1S8
• DSSTox Substance ID: DTXSID8020628
• Nikkaji Number: J3.388J
• Wikipedia: Fluometuron
• Wikidata: Q5462798
• ChEMBL ID: CHEMBL1569926
• Mol file: 2164-17-2.mol

Synonyms:1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea;C-2059;Cotoran;Cotoran 80 WP;fluometuron;fluometuron monoacetate;fluometuron monohydrochloride;ftormeturon;Pakhtaron

Chemical Property of Fluometuron

Chemical Property:

• Appearance/Colour: white crystals or powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 163 °C
• Boiling Point: 323.7 °C at 760 mmHg
• PKA: 14.55±0.70(Predicted)
• Flash Point: 149.6 °C
• PSA: 32.34000
• Density: 1.291 g/cm³
• LogP: 2.87190
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Sparingly, Heated), Methanol (Slightly)
• Water Solubility.: Slightly soluble.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.08234746
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Fluometuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Urea Derivative
• Canonical SMILES: CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
• Uses: Herbicide used to control many annual broad-leaved weeds in sugarcane and cotton Fluometuron is an phenylurea based herbicide used on cotton and sugarcane crops. Herbicide.

Technology Process of Fluometuron

There total 11 articles about Fluometuron 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: 98.0%

3-trifluoromethylaniline (98-16-8) + N,N-Dimethylcarbamoyl chloride (79-44-7) → fluometuron (2164-17-2)

Guidance literature:

With sodium carbonate; sodium iodide; In hexane; at 50 ℃; for 16h; pH=7;

DOI:10.1055/s-0028-1083340

Reference yield: 94.0%

3-trifluoromethylaniline (98-16-8) + N,N-Dimethylcarbamoyl chloride (79-44-7) → 1,1,5,5-tetramethyl-3-[3-(trifluoromethyl)phenyl]biuret (105549-06-2) + fluometuron (2164-17-2)

Guidance literature:

With sodium carbonate; sodium iodide; In hexane; at 60 ℃; for 24h;

DOI:10.1055/s-0028-1083340

Reference yield: 91.0%

N,N-dimethylcarbamoyl bromide (15249-51-1) + 3-trifluoromethylaniline (98-16-8) → fluometuron (2164-17-2)

Guidance literature:

With sodium carbonate; In hexane; at 50 ℃; for 6h; pH=5 - 6;

DOI:10.1055/s-0028-1083340

upstream raw materials:

m-Trifluoromethyl-carbanilic acid isopropyl ester

dimethyl amine

N-(3-trifluoromethylphenyl)urea

1-isocyanato-3-trifluoromethyl-benzene

Downstream raw materials:

N-(3-trifluoromethyl phenyl)-N-isopropylthio-N',N'-dimethyl-urea

methylamine

dimethyl amine

1-isocyanato-3-trifluoromethyl-benzene

Refernces

• 1、 -. "Synthesis method of phenylurea herbicide or deuteration-labeled phenylurea herbicide". Paragraph 0102; 0103; 0104. . Retrieved 2017/02/17.
• 2、 Houlden, Chris E.,Bailey, Chris D.,Ford, J. Gair,Gagne, Michel R.,Lloyd-Jones, Guy C.,Booker-Milburn, Kevin I.. "Distinct reactivity of Pd(OTs)2: The intermolecular Pd(II)-catalyzed 1,2-carboamination of dienes". supporting information; experimental part. p. 10066 - 10067. Retrieved 2009/02/04.