Isoproturon

Base Information

• Chemical Name: Isoproturon
• CAS No.: 34123-59-6
• Molecular Formula: C12H18N2O
• Molecular Weight: 206.288
• Hs Code.: 29242990
• European Community (EC) Number: 251-835-4
• UNII: 66066K098P
• DSSTox Substance ID: DTXSID1042077
• Nikkaji Number: J60.490I
• Wikidata: Q2184565
• Metabolomics Workbench ID: 67722
• ChEMBL ID: CHEMBL2251591
• Mol file: 34123-59-6.mol

Synonyms:isoproturon;isoproturon-50;N'-(4-(1-methylethyl)phenyl)-N,N-dimethylurea

Chemical Property of Isoproturon

Chemical Property:

• Appearance/Colour: colorless solid
• Vapor Pressure: 3.64E-05mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.555
• Boiling Point: 353.2 °C at 760 mmHg
• PKA: 15.06±0.70(Predicted)
• Flash Point: 167.4 °C
• PSA: 32.34000
• Density: 1.05 g/cm³
• LogP: 2.97650
• Storage Temp.: APPROX 4°C
• Water Solubility.: 60mg/L(20 oC)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.141913202
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Isoproturon ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn,F
• Hazard Codes: Xi;N,N,Xi,Xn,F
• Statements: 40-50/53-36-20/21/22-11
• Safety Statements: 36/37-60-61-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
• Uses: Isoproturon may be used as a reference standard for the determination of isoproturon in crops using high performance liquid chromatography (HPLC) with fluorescence detection combined with UV decomposition and post-column derivatization. Pre-and post-emergence herbicide for control of annual grasses and broad-leaved weeds. Herbicide.

Technology Process of Isoproturon

There total 9 articles about Isoproturon 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%

4-Isopropylaniline (99-88-7) + N,N-Dimethylcarbamoyl chloride (79-44-7) → N-(4-isopropylphenyl)-N',N'-dimethylurea (34123-59-6,217487-17-7)

Guidance literature:

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

DOI:10.1055/s-0028-1083340

Reference yield: 80.0%

N,N-dimethylammonium chloride (506-59-2) + 3-(4-isopropylphenyl)-1,4,2-dioxazol-5-one → N-(4-isopropylphenyl)-N',N'-dimethylurea (34123-59-6,217487-17-7)

Guidance literature:

With 2,2,2-trifluoroethanol; triethylamine; at 50 ℃; for 18h;

DOI:10.1080/00397911.2021.1983605

Reference yield: 76.0%

4-isopropylphenylisocyanate (31027-31-3) + N,N-dimethylammonium chloride (506-59-2) → N-(4-isopropylphenyl)-N',N'-dimethylurea (34123-59-6,217487-17-7)

Guidance literature:

4-isopropylphenylisocyanate; N,N-dimethylammonium chloride; In tetrachloromethane; for 0.333333h; Inert atmosphere;

With triethylamine; In tetrachloromethane; at 20 ℃; for 16h;

upstream raw materials:

4-isopropylphenylisocyanate

dimethyl amine

[2,2]bipyridinyl

4-nitrocumene

Downstream raw materials:

methylamine

N,N-dimethylcarbamic acid

4-Isopropylaniline

1,1-Dimethylurea

Refernces

• 1、 -. "METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS". Page/Page column 16. . Retrieved 2019/05/02.
• 2、 -. "NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND". . . Retrieved 2017/08/26.