Diethyl N-benzylimidocarbonate

Base Information

• Chemical Name: Diethyl N-benzylimidocarbonate
• CAS No.: 6263-03-2
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• European Community (EC) Number: 228-419-6
• UNII: DUU23T9MHB
• DSSTox Substance ID: DTXSID20211671
• Nikkaji Number: J211.490I
• Mol file: 6263-03-2.mol

Synonyms:Diethyl N-benzylimidocarbonate;6263-03-2;1,1-diethoxy-N-(phenylmethyl)methanimine;DUU23T9MHB;DTXSID20211671;EINECS 228-419-6;Benzylimidocarbonic acid diethyl ester;Imidocarbonic acid, benzyl-, diethyl ester;Carbonimidic acid, (phenylmethyl)-, diethyl ester

Chemical Property of Diethyl N-benzylimidocarbonate

Chemical Property:

• Vapor Pressure: 0.0143mmHg at 25°C
• Boiling Point: 266.3°Cat760mmHg
• Flash Point: 95.5°C
• PSA: 30.82000
• Density: 0.97g/cm³
• LogP: 2.61560
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=NCC1=CC=CC=C1)OCC

Technology Process of Diethyl N-benzylimidocarbonate

There total 2 articles about Diethyl N-benzylimidocarbonate 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: 45.0%

triethoxyacetonitrile (68714-37-4) + benzylamine (100-46-9) → orthocarbonic acid tetraethyl ester (78-09-1) + Diethyl(benzylimido)carbonat (6263-03-2) + 1,3-Dibenzyl-2-ethylisoharnstoff (81759-29-7)

Guidance literature:

at 120 ℃;

Reference yield:

→ Diethyl(benzylimido)carbonat (6263-03-2)

Guidance literature:

Diaethylimidocarbonat, Benzylamin;

upstream raw materials:

triethoxyacetonitrile

benzylamine