1-[2-Methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylurea

Base Information

• Chemical Name: 1-[2-Methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylurea
• CAS No.: 60903-54-0
• Molecular Formula: C21H20N4O2
• Molecular Weight: 360.415
• European Community (EC) Number: 858-896-1
• DSSTox Substance ID: DTXSID80515187
• Wikidata: Q82375947
• Mol file: 60903-54-0.mol

Synonyms:60903-54-0;SCHEMBL13104614;DTXSID80515187;N,N''-(4-Methyl-1,3-phenylene)bis[N'-phenylurea]

Chemical Property of 1-[2-Methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylurea

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 360.15862589
• Heavy Atom Count: 27
• Complexity: 487

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

Technology Process of 1-[2-Methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylurea

There total 3 articles about 1-[2-Methyl-5-(phenylcarbamoylamino)phenyl]-3-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:

2,4-bis(methoxycarbonylamino)toluene (6935-99-5) → 1,1'-(4-methyl-1,3-phenylene)bis(3-phenylurea) (60903-54-0)

Guidance literature:

Multi-step reaction with 2 steps

1: montmorillonite K₁₀ Clay / 1-methyl-pyrrolidin-2-one / 0.5 h / 190 °C / Microwave irradiation

2: 0 - 20 °C

With montmorillonite K₁₀ Clay; In 1-methyl-pyrrolidin-2-one;

DOI:10.1080/00397911.2020.1762093

Reference yield:

aniline (62-53-3) + 2,4-Toluene diisocyanate (584-84-9,6144-18-9,26006-20-2) → 1,1'-(4-methyl-1,3-phenylene)bis(3-phenylurea) (60903-54-0)

Guidance literature:

With diethyl ether;

Reference yield:

4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) + phenyl isocyanate (103-71-9) → 1,1'-(4-methyl-1,3-phenylene)bis(3-phenylurea) (60903-54-0)

Guidance literature:

With diethyl ether;

upstream raw materials:

4-methylbenzene-1,3-diamine

phenyl isocyanate

aniline

2,4-Toluene diisocyanate

Downstream raw materials:

bis(diphenyl)urea