1,3-Diethylimidazolidin-2-one

Base Information

• Chemical Name: 1,3-Diethylimidazolidin-2-one
• CAS No.: 40424-21-3
• Molecular Formula: C7H14N2O
• Molecular Weight: 142.19900
• DSSTox Substance ID: DTXSID90448290
• Nikkaji Number: J1.124.059C
• Wikidata: Q72461974
• ChEMBL ID: CHEMBL12146
• Mol file: 40424-21-3.mol

Synonyms:1,3-diethylimidazolidin-2-one;40424-21-3;2-Imidazolidinone, 1,3-diethyl-;CHEMBL12146;SCHEMBL329869;1,3-Diethylimidazolidine-2-one;DTXSID90448290

Chemical Property of 1,3-Diethylimidazolidin-2-one

Chemical Property:

• Boiling Point: 228℃
• Flash Point: 91℃
• PSA: 23.55000
• Density: 0.998
• LogP: 0.63960
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(C1=O)CC

Technology Process of 1,3-Diethylimidazolidin-2-one

There total 9 articles about 1,3-Diethylimidazolidin-2-one 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: 96.0%

N,N'-diethylethylenediamine (111-74-0) + carbon monoxide (201230-82-2) → 1,3-diethyl-imidazolidin-2-one (40424-21-3)

Guidance literature:

N,N'-diethylethylenediamine; carbon monoxide; With selenium; at 20 ℃; for 2h; under 750.075 Torr; neat (no solvent);

With oxygen; at 20 ℃; for 1h; under 750.075 Torr; neat (no solvent);

DOI:10.1055/s-0030-1258299

Reference yield: 95.0%

imidazolidone (120-93-4) + ethene (74-85-1) → 1,3-diethyl-imidazolidin-2-one (40424-21-3)

Guidance literature:

With 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; silver trifluoromethanesulfonate; In 1,4-dioxane; at 100 ℃; for 20h; under 6205.94 Torr; Autoclave;

Reference yield: 85.4%

→ 1,3-diethyl-imidazolidin-2-one (40424-21-3)

Guidance literature:

upstream raw materials:

phosgene

N,N'-diethylethylenediamine

imidazolidone

ethyl iodide