3-(3-Chlorophenyl)-1-ethyl-1-phenylurea

Base Information

• Chemical Name: 3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
• CAS No.: 82744-90-9
• Molecular Formula: C₁₅H₁₅ClN₂O
• Molecular Weight: 274.75
• European Community (EC) Number: 666-992-8
• NSC Number: 164139
• DSSTox Substance ID: DTXSID10304086
• Wikidata: Q82049734
• ChEMBL ID: CHEMBL1725931
• Mol file: 82744-90-9.mol

Synonyms:3-(3-chlorophenyl)-1-ethyl-1-phenylurea;N'-(3-chlorophenyl)-N-ethyl-N-phenylurea;82744-90-9;NSC164139;Cambridge id 5283495;MLS001000582;CHEMBL1725931;SCHEMBL12218563;DTXSID10304086;HMS1580D07;HMS2840H05;STK395493;AKOS003486326;NSC-164139;SMR000496097;AB00079122-01;SR-01000203290;SR-01000203290-1

Chemical Property of 3-(3-Chlorophenyl)-1-ethyl-1-phenylurea

Chemical Property:

• Vapor Pressure: 3.67E-08mmHg at 25°C
• Boiling Point: 446.4°C at 760 mmHg
• Flash Point: 223.8°C
• Density: 1.267g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 274.0872908
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl

Technology Process of 3-(3-Chlorophenyl)-1-ethyl-1-phenylurea

There total 2 articles about 3-(3-Chlorophenyl)-1-ethyl-1-phenylurea 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: 80.0%

3-chloro-N-fluoro-N-(phenylsulfonyl)benzamide + N-ethyl-N-phenylamine (103-69-5) → 3-(3-chlorophenyl)-1-ethyl-1-phenylurea (82744-90-9)

Guidance literature:

With dmap; potassium carbonate; In tetrahydrofuran; at 50 ℃; for 12h;

DOI:10.1002/ejoc.201901602

Reference yield:

N-ethyl-N-phenylamine (103-69-5) + m-chlorophenyl isocyanate (2909-38-8) → 3-(3-chlorophenyl)-1-ethyl-1-phenylurea (82744-90-9)

Guidance literature:

DOI:10.1016/0022-2860(82)85229-0

upstream raw materials:

N-ethyl-N-phenylamine

m-chlorophenyl isocyanate