Urea, N'-phenyl-N,N-bis(phenylmethyl)-

Base Information

• Chemical Name: Urea, N'-phenyl-N,N-bis(phenylmethyl)-
• CAS No.: 53693-57-5
• Molecular Formula: C21H20N2O
• Molecular Weight: 316.403
• European Community (EC) Number: 666-503-8
• DSSTox Substance ID: DTXSID70355110
• Nikkaji Number: J3.511.303G
• Wikidata: Q82133765
• ChEMBL ID: CHEMBL74220
• Mol file: 53693-57-5.mol

Synonyms:N,N-dibenzyl-N'-phenylurea;53693-57-5;Urea, N'-phenyl-N,N-bis(phenylmethyl)-;Cambridge id 5280958;Oprea1_643411;CBDivE_016019;MLS000531957;CHEMBL74220;SCHEMBL11142938;DTXSID70355110;HMS2452P18;AKOS001012603;SMR000136900;AB00078980-01;Z44585741

Chemical Property of Urea, N'-phenyl-N,N-bis(phenylmethyl)-

Chemical Property:

• PSA: 35.83000
• LogP: 4.93450
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 316.157563266
• Heavy Atom Count: 24
• Complexity: 346

Purity/Quality:

1,1-DIBENZYL-3-PHENYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Technology Process of Urea, N'-phenyl-N,N-bis(phenylmethyl)-

There total 9 articles about Urea, N'-phenyl-N,N-bis(phenylmethyl)- 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: 98.0%

phenyl isocyanate (103-71-9) + dibenzylamine (103-49-1) → N'-phenyl-N,N-bis(phenylmethyl)urea (53693-57-5)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1021/jo00002a058

Reference yield: 95.0%

phenyl carbamate (64-10-8) + dibenzylamine (103-49-1) → N'-phenyl-N,N-bis(phenylmethyl)urea (53693-57-5)

Guidance literature:

In 1,4-dioxane; at 100 - 110 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.cclet.2010.06.014

Reference yield: 83.0%

phenyl isothiocyanate (103-72-0) + dibenzylamine (103-49-1) → N'-phenyl-N,N-bis(phenylmethyl)urea (53693-57-5)

Guidance literature:

With eosin Y; oxygen; In water; dimethyl sulfoxide; at 20 ℃; for 8h; Schlenk technique; Sealed tube; Irradiation; Green chemistry;

DOI:10.1039/d0gc00070a

upstream raw materials:

phenyl isocyanate

dibenzylamine

dibenzylcarbamyl chloride

aniline

Downstream raw materials:

dibenzylamine

N'-acetoacetyl-N'-phenyl-N,N-bis(phenylmethyl)urea

4-acetyl-5-carbmethoxy-1-(dibenzylamino)-6H-7-oxa-3-oxo-2-phenyl-2-azabicyclo<2.2.1>hept-5-ene

4-acetyl-6-carbomethoxy-1-(dibenzylamino)-5H-7-oxa-3-oxo-2-phenyl-2-azabicyclo<2.2.1>hept-5-ene

Refernces

• 1、 Deng, Weiseng,Gan, Ziyu,Jiang, Yuan-Ye,Li, Guoqing,Yan, Qiuli,Yang, Daoshan. "Visible-light-promoted oxidative desulphurisation: A strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen". supporting information. p. 2956 - 2962. Retrieved 2020/06/17.
• 2、 Hosseinzadeh, Rahman,Tajbakhsh, Mahmood,Aghili, Nora. "Synthesis of unsymmetrical ureas and S-thiocarbamates under catalyst-free conditions in a [BMIM]BF4 ionic liquid". . p. 175 - 182. Retrieved 2015/05/27.