3-(4-Chlorophenyl)-1-ethyl-1-phenyl-urea

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1-ethyl-1-phenyl-urea
• CAS No.: 82744-96-5
• Molecular Formula: C15H15ClN2O
• Molecular Weight: 274.7454
• European Community (EC) Number: 688-738-5
• NSC Number: 164144
• DSSTox Substance ID: DTXSID90304089
• Wikidata: Q82049739
• Mol file: 82744-96-5.mol

Synonyms:82744-96-5;3-(4-chlorophenyl)-1-ethyl-1-phenyl-urea;NSC 164144;NSC164144;1-(4-chlorophenyl)-3-ethyl-3-phenylurea;SCHEMBL20016685;DTXSID90304089;AKOS003423850;NSC-164144;3-(4-CHLORO-PHENYL)-1-ETHYL-1-PHENYL-UREA

Chemical Property of 3-(4-Chlorophenyl)-1-ethyl-1-phenyl-urea

Chemical Property:

• Vapor Pressure: 3.23E-08mmHg at 25°C
• Boiling Point: 448°C at 760 mmHg
• Flash Point: 224.7°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: 284

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Chlorophenyl)-1-ethyl-1-phenyl-urea

There total 5 articles about 3-(4-Chlorophenyl)-1-ethyl-1-phenyl-urea 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: 86.0%

p-chlorphenylisocyanate (104-12-1) + N-ethyl-N-phenylamine (103-69-5) → 3-(4-chlorophenyl)-1-ethyl-1-phenylurea (82744-96-5)

Guidance literature:

In dichloromethane; at 20 ℃; for 6h;

DOI:10.1002/adsc.202000198

Reference yield: 73.0%

4-chloro-N-fluoro-N-(phenylsulfonyl)benzamide + N-ethyl-N-phenylamine (103-69-5) → 3-(4-chlorophenyl)-1-ethyl-1-phenylurea (82744-96-5)

Guidance literature:

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

DOI:10.1002/ejoc.201901602

Reference yield:

N-(4-chlorophenyl)formamide (2617-79-0) → 3-(4-chlorophenyl)-1-ethyl-1-phenylurea (82744-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-[(trifluoroacetoxy)iodo]benzene / 1,2-dichloro-ethane / 0.03 h / 20 °C / Molecular sieve; Inert atmosphere

2: 2 h / 20 °C / Molecular sieve; Inert atmosphere

With bis-[(trifluoroacetoxy)iodo]benzene; In 1,2-dichloro-ethane;

DOI:10.1039/c4nj01668h

upstream raw materials:

N-carbamimidoyl-N'-(4-chloro-phenyl)-urea; hydrochloride

N-ethyl-N-phenylamine

p-chlorphenylisocyanate

N-(4-chlorophenyl)formamide