1,1-Dibenzyl-3-(4-methylphenyl)urea

Base Information

• Chemical Name: 1,1-Dibenzyl-3-(4-methylphenyl)urea
• CAS No.: 86764-30-9
• Molecular Formula: C22H22N2O
• Molecular Weight: 330.429
• European Community (EC) Number: 665-668-3
• DSSTox Substance ID: DTXSID70397010
• Nikkaji Number: J352.725E
• Wikidata: Q82198011
• ChEMBL ID: CHEMBL75524
• Mol file: 86764-30-9.mol

Synonyms:1,1-dibenzyl-3-(4-methylphenyl)urea;1,1-Dibenzyl-3-(p-tolyl)urea;86764-30-9;Oprea1_244438;CHEMBL75524;SCHEMBL11143915;DTXSID70397010;AKOS008667372;1-(4-Methylphenyl)-3,3-dibenzylurea

Chemical Property of 1,1-Dibenzyl-3-(4-methylphenyl)urea

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 330.173213330
• Heavy Atom Count: 25
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 1,1-Dibenzyl-3-(4-methylphenyl)urea

There total 6 articles about 1,1-Dibenzyl-3-(4-methylphenyl)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: 95.0%

p-Tolylisocyanate (622-58-2,374675-64-6) + dibenzylamine (103-49-1) → 3,3-Dibenzyl-1-(4-tolyl)urea (86764-30-9)

Guidance literature:

In hexane; Ambient temperature;

DOI:10.1021/jm00130a016

Reference yield: 23.0%

3,3-Dibenzyl-1-(4-tolyl)-1-nitrosourea (132931-81-8) → dibenzylnitrosamine (5336-53-8) + 3,3-Dibenzyl-1-(4-tolyl)urea (86764-30-9) + 3,3-Dibenzyl-1-(4-tolyl)triazene (132931-86-3) + 3,3-Dibenzyl-1-(2-nitro-4-tolyl)urea (132931-84-1) + p-Tolylisocyanate (622-58-2,374675-64-6)

Guidance literature:

In tetrachloromethane; at 33 ℃; for 24h; Product distribution; Mechanism;

DOI:10.1248/cpb.38.2644

Reference yield:

3,3-Dibenzyl-1-(4-tolyl)-1-nitrosourea (132931-81-8) → 3,3-Dibenzyl-1-(4-tolyl)urea (86764-30-9)

Guidance literature:

In tetrachloromethane; at 20 ℃; Rate constant; Kinetics;

DOI:10.1248/cpb.42.1760

upstream raw materials:

3,3-Dibenzyl-1-(4-tolyl)-1-nitrosourea

p-Tolylisocyanate

dibenzylamine

bis(trichloromethyl) carbonate

Downstream raw materials:

3,3-Dibenzyl-1-(2-nitro-4-tolyl)urea

3-benzyl-1-(4-tolyl)-3-nitrosourea

3,3-Dibenzyl-1-(4-tolyl)-1-nitrosourea