N-phenyl-N'-(1-phenylethyl)urea

Base Information

• Chemical Name: N-phenyl-N'-(1-phenylethyl)urea
• CAS No.: 18006-57-0
• Molecular Formula: C15H16N2O
• Molecular Weight: 240.305
• DSSTox Substance ID: DTXSID701303842
• Nikkaji Number: J1.388.445E
• ChEMBL ID: CHEMBL1543552
• Mol file: 18006-57-0.mol

Synonyms:N-phenyl-N'-(1-phenylethyl)urea;Cambridge id 5137649;Oprea1_847514;MLS000105052;SCHEMBL9306563;CHEMBL1543552;1-(a-methylbenzyl)-3-phenylurea;1-(1-Phenylethyl)-3-phenylurea;REGID_for_CID_2794059;DTXSID701303842;HMS1578E22;HMS2328M22;AKOS001591424;AKOS017083938;SMR000054981;SR-01000397755;SR-01000397755-1;18006-57-0

Chemical Property of N-phenyl-N'-(1-phenylethyl)urea

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-phenyl-N'-(1-phenylethyl)urea

There total 4 articles about N-phenyl-N'-(1-phenylethyl)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: 98.0%

carbon dioxide (124-38-9,18923-20-1) + (1-bromoethyl)benzne (585-71-7,38661-81-3) + aniline (62-53-3) → N-(1-phenylethyl)-N'-phenylurea (18006-57-0)

Guidance literature:

(1-bromoethyl)benzne; With sodium azide; In acetonitrile; at 95 ℃; for 3h; under 1500.15 Torr; Inert atmosphere; Microwave irradiation;

carbon dioxide; aniline; In acetonitrile; at 70 ℃; for 3h; under 10876.1 Torr; Microwave irradiation;

DOI:10.3762/bjoc.9.274

Reference yield: 90.0%

phenyl isocyanate (103-71-9) + rac-methylbenzylamine (618-36-0) → N-(1-phenylethyl)-N'-phenylurea (18006-57-0)

Guidance literature:

In diethyl ether; at 20 ℃;

Reference yield: 87.0%

phenyl carbamate (64-10-8) + (S)-1-phenyl-ethylamine (2627-86-3) → N-(1-phenylethyl)-N'-phenylurea (18006-57-0)

Guidance literature:

With sulfated polyborate; at 120 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2017.10.001

upstream raw materials:

phenyl isocyanate

rac-methylbenzylamine

carbon dioxide

(1-bromoethyl)benzne

Downstream raw materials:

(R,S)-N,N'-dimethyl-N-(1-phenylethyl)-N'-4-phenylurea