N-mesityl-N'-phenylurea

Base Information

• Chemical Name: N-mesityl-N'-phenylurea
• CAS No.: 2904-67-8
• Molecular Formula: C16H18 N2 O
• Molecular Weight: 254.332
• European Community (EC) Number: 635-702-1
• NSC Number: 164207
• DSSTox Substance ID: DTXSID30304104
• Nikkaji Number: J2.407.516H
• Wikidata: Q82049771
• Mol file: 2904-67-8.mol

Synonyms:N-mesityl-N'-phenylurea;1-phenyl-3-(2,4,6-trimethylphenyl)urea;2904-67-8;NSC164207;ST059313;Oprea1_607074;DTXSID30304104;STK988287;AKOS000392770;NSC-164207;3-phenyl-1-(2,4,6-trimethyl-phenyl)-urea

Chemical Property of N-mesityl-N'-phenylurea

Chemical Property:

• Vapor Pressure: 0.000818mmHg at 25°C
• Boiling Point: 305.5°C at 760 mmHg
• Flash Point: 93.2°C
• Density: 1.163g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 254.141913202
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC=CC=C2)C

Technology Process of N-mesityl-N'-phenylurea

There total 17 articles about N-mesityl-N'-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: 99.0%

mesitylenecarboxylic acid (480-63-7) + aniline (62-53-3) → N-(2,4,6-trimethylphenyl)-N'-phenylurea (2904-67-8)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In toluene; at 100 ℃; for 0.0166667h; Microwave irradiation;

DOI:10.1021/acs.joc.6b02521

Reference yield: 95.0%

phenyl isocyanate (103-71-9) + 2,4,6-trimethylaniline (88-05-1) → N-(2,4,6-trimethylphenyl)-N'-phenylurea (2904-67-8)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0833333h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202100932

Reference yield: 88.0%

1-mesityl-3-phenylthiourea (37143-74-1) → N-(2,4,6-trimethylphenyl)-N'-phenylurea (2904-67-8) + 2,6-dichlorophenylisothiocyanate (6590-95-0)

Guidance literature:

With 2,6-dichlorobenzohydroximoyl chloride; triethylamine; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1080/00397919808007019

upstream raw materials:

phenyl isocyanate

2,4,6-trimethylaniline

N-(2,4,6-trimethylphenyl)-N′-phenylcarbodiimide

mesityl isocyanate