Urea, 1-benzyl-3-ethyl-

Base Information

• Chemical Name: Urea, 1-benzyl-3-ethyl-
• CAS No.: 61843-91-2
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• DSSTox Substance ID: DTXSID80210827
• Nikkaji Number: J2.966.911B
• Wikidata: Q83085622
• Mol file: 61843-91-2.mol

Synonyms:1-Benzyl-3-ethylurea;Urea, 1-benzyl-3-ethyl-;BRN 2804884;Urea, N-ethyl-N'-(phenylmethyl)-;61843-91-2;0-12-00-01050 (Beilstein Handbook Reference);1-Ethyl-3-benzylurea;SCHEMBL970225;DTXSID80210827;STR02078;AKOS029842460;LS-158937;Z44585735

Chemical Property of Urea, 1-benzyl-3-ethyl-

Chemical Property:

• Vapor Pressure: 8E-06mmHg at 25°C
• Boiling Point: 375°C at 760 mmHg
• Flash Point: 164.6°C
• Density: 1.048g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)NCC1=CC=CC=C1

Technology Process of Urea, 1-benzyl-3-ethyl-

There total 13 articles about Urea, 1-benzyl-3-ethyl- 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: 89.4%

C9H10N4O (1197158-28-3) + benzylamine (100-46-9) → (N-benzyl-N'-ethyl)urea (61843-91-2)

Guidance literature:

In toluene; at 70 - 80 ℃; for 2h;

DOI:10.1055/s-0029-1217820

Reference yield: 86.0%

ethylamine (75-04-7,85404-22-4) + benzylcarbamic acid 2,2,2-trifluoroethyl ester → (N-benzyl-N'-ethyl)urea (61843-91-2)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 100 ℃; for 4h;

DOI:10.1016/j.tet.2011.03.101

Reference yield: 81.0%

N-Ethylurea (625-52-5) + benzyl alcohol (100-51-6,185532-71-2) → (N-benzyl-N'-ethyl)urea (61843-91-2)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydroxide; In tert-Amyl alcohol; at 110 ℃; for 12h; Schlenk technique; Green chemistry;

upstream raw materials:

benzylamine

N-(3-amino(1,2,4-triazol-2-yl)-N'-ethyl)urea

ethyl-thiocarbamic acid S-(4-chloro-phenyl) ester

ethyl-thiocarbamic acid S-p-tolyl ester

Downstream raw materials:

1-ethyl-3-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione