3-(2-Chlorophenyl)-1,1-diethylurea

Base Information

• Chemical Name: 3-(2-Chlorophenyl)-1,1-diethylurea
• CAS No.: 15441-94-8
• Molecular Formula: C11H15 Cl N2 O
• Molecular Weight: 226.706
• European Community (EC) Number: 666-898-7
• NSC Number: 190740
• DSSTox Substance ID: DTXSID30307332
• Wikidata: Q82054704

Synonyms:3-(2-chlorophenyl)-1,1-diethylurea;15441-94-8;NSC190740;SCHEMBL16599594;DTXSID30307332;AKOS024334886;N'-(2-chlorophenyl)-N,N-diethylurea;NSC-190740

Chemical Property of 3-(2-Chlorophenyl)-1,1-diethylurea

Chemical Property:

• Vapor Pressure: 7.38E-06mmHg at 25°C
• Boiling Point: 376.2°Cat760mmHg
• Flash Point: 181.3°C
• Density: 1.185g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 226.0872908
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)NC1=CC=CC=C1Cl

Technology Process of 3-(2-Chlorophenyl)-1,1-diethylurea

There total 6 articles about 3-(2-Chlorophenyl)-1,1-diethylurea 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: 59.0%

1-phenyl-3,3-diethylurea (1014-72-8) → N,N-diethyl-N'-(2-chlorophenyl)urea (15441-94-8) + N,N-diethyl-N'-(4-chlorophenyl)urea (15737-37-8)

Guidance literature:

With trichloroisocyanuric acid; In acetonitrile; at 25 ℃; regioselective reaction;

DOI:10.1055/s-0036-1589149

Reference yield:

phenyl isocyanate (103-71-9) → N,N-diethyl-N'-(2-chlorophenyl)urea (15441-94-8) + N,N-diethyl-N'-(4-chlorophenyl)urea (15737-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hexane / 25 °C / Cooling with ice

2: trichloroisocyanuric acid / acetonitrile / 25 °C

With trichloroisocyanuric acid; In hexane; acetonitrile;

DOI:10.1055/s-0036-1589149

Reference yield:

N,N-diethylcarbamyl chloride (88-10-8) + o-chloroaniline (95-51-2) → N,N-diethyl-N'-(2-chlorophenyl)urea (15441-94-8) + N,N'-bis(2-chlorophenyl)urea (13208-19-0)

Guidance literature:

With triethylamine;

DOI:10.1246/bcsj.30.444

upstream raw materials:

o-chlorophenyl isocyanate

diethylamine

N,N-diethylcarbamyl chloride

triethylamine

Downstream raw materials:

N-(o-Chlorphenyl)-N'.N'-diaethyl-formamidin

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