N'-(3-Chlorophenyl)-N,N-dimethylurea

Base Information

• Chemical Name: N'-(3-Chlorophenyl)-N,N-dimethylurea
• CAS No.: 587-34-8
• Molecular Formula: C9H11 Cl N2 O
• Molecular Weight: 198.652
• European Community (EC) Number: 622-173-7
• UNII: 636VOA73L3
• DSSTox Substance ID: DTXSID2074667
• Nikkaji Number: J87.594E
• Wikidata: Q27263572
• ChEMBL ID: CHEMBL2271012
• Mol file: 587-34-8.mol

Synonyms:587-34-8;N'-(3-CHLOROPHENYL)-N,N-DIMETHYLUREA;3-(3-Chlorophenyl)-1,1-dimethylurea;Urea, N'-(3-chlorophenyl)-N,N-dimethyl-;C 2034;N,N-Dimethyl-N'-(3-chlorophenyl)-urea;1-(m-Chlorophenyl)-3,3-dimethylurea;1-(3-Chlorophenyl)-3,3-dimethylurea;BRN 2210814;UNII-636VOA73L3;Urea, 1-(m-chlorophenyl)-3,3-dimethyl-;Urea, 3-(m-chlorophenyl)-1,1-dimethyl-;AI3-61360;636VOA73L3;1-m-Chlorophenyl-3,3-dimethylurea;1-(m-chlorophenyl)-3,3-dimethyl-ure;C-2034;SCHEMBL2461958;CHEMBL2271012;DTXSID2074667;1,1-dimethyl-3-m-chlorophenylurea;AKOS001326355;LS-159556;N-(M-CHLOROPHENYL)-N',N'-DIMETHYLUREA;EN300-8108656;Urea, N'-(3-chlorophenyl)-N,N-dimethyl- (9CI);Q27263572;Z55293720

Chemical Property of N'-(3-Chlorophenyl)-N,N-dimethylurea

Chemical Property:

• Vapor Pressure: 2.85E-05mmHg at 25°C
• Melting Point: 1.8-144.3 °C
• Boiling Point: 356.8°C at 760 mmHg
• PKA: 14.42±0.70(Predicted)
• Flash Point: 169.6°C
• PSA: 35.83000
• Density: 1.255g/cm³
• LogP: 2.44710
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.0559907
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Chlorophenyl)-1,1-dimethylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=O)NC1=CC(=CC=C1)Cl
• Uses: 3-(3-Chlorophenyl)-1,1-dimethylurea has been to study, the quantitative structure-activity relations of substituted phenylureas on the Hill inhibitory activity; Simple and rapid screening method for photosystem II inhibitory herbicides using photoautotrophically cultured plant cells with chlorophyll fluorescence monitoring.

Technology Process of N'-(3-Chlorophenyl)-N,N-dimethylurea

There total 7 articles about N'-(3-Chlorophenyl)-N,N-dimethylurea 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: 89.0%

→ monuron (587-34-8)

Guidance literature:

Reference yield: 88.0%

dimethyl amine (124-40-3) + m-chlorophenyl isocyanate (2909-38-8) → monuron (587-34-8)

Guidance literature:

In water; toluene; for 4h; Heating;

DOI:10.1039/b905717j

Reference yield: 73.0%

3-chloro-aniline (108-42-9) + N,N-Dimethylcarbamoyl chloride (79-44-7) → monuron (587-34-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.1021/ol5036968

upstream raw materials:

dimethyl amine

m-chlorophenyl isocyanate

carbon monoxide

3-chloro-aniline

Downstream raw materials:

N’-(5-chloro-2-methyphenyl)-N,N-dimethylurea

3-(4-bromo-3-chlorophenyl)-1,1-dimethylurea

dimethyl amine

m-chlorophenyl isocyanate

Refernces

• 1、 Lv, Honggui,Shi, Jingjing,Wu, Bo,Guo, Yujuan,Huang, Junjun,Yi, Wei. "One-pot synthesis of 2,3-difunctionalized indoles: Via Rh(III)-catalyzed carbenoid insertion C-H activation/cyclization". supporting information. p. 8054 - 8058. Retrieved 2017/10/13.
• 2、 Rauf, Waqar,Thompson, Amber L.,Brown, John M.. "Comparative catalytic C-H vs. C-Si activation of arenes with Pd complexes directed by urea or amide groups". supporting information; experimental part. p. 3874 - 3876. Retrieved 2010/01/06.