1,3-Diacetyl-2-imidazolidinone

Base Information

• Chemical Name: 1,3-Diacetyl-2-imidazolidinone
• CAS No.: 5391-40-2
• Molecular Formula: C₇H₁₀N₂O₃
• Molecular Weight: 170.168
• Hs Code.: 2933990090
• UNII: 899C7KD45F
• DSSTox Substance ID: DTXSID30337073
• Wikidata: Q82104668
• Mol file: 5391-40-2.mol

Synonyms:5391-40-2;1,3-Diacetyl-2-imidazolidinone;1,3-diacetylimidazolidin-2-one;2-Imidazolidinone, 1,3-diacetyl-;1,1'-(2-Oxoimidazolidine-1,3-diyl)diethanone;899C7KD45F;UNII-899C7KD45F;SCHEMBL4335919;DTXSID30337073;1,3-Diacetyl-2-imidazolidinone #;AKOS006227670;Methyl-(4-pyrrolidin-1-ylmethyl-tetrahydro-pyran-4-yl)-carbamicacidbenzylester

Chemical Property of 1,3-Diacetyl-2-imidazolidinone

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Melting Point: 126-128 °C
• Refractive Index: 1.52
• Boiling Point: 261.3 °C at 760 mmHg
• Flash Point: 112.1 °C
• PSA: 57.69000
• Density: 1.31 g/cm³
• LogP: -0.30720
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

1,3-Diacetyl-2-imidazolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCN(C1=O)C(=O)C
• Uses: 1,3-Diacetyl-2-imidazolidinone is used to characterize model compounds for diisocyanate cyclopolymers.

Technology Process of 1,3-Diacetyl-2-imidazolidinone

There total 3 articles about 1,3-Diacetyl-2-imidazolidinone 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:

N-(2-acetylamino-ethyl)-N'-nitro-urea (66907-95-7) + acetyl chloride (75-36-5) → 1,3-diacetylimidazolin-2-one (5391-40-2)

Guidance literature:

With acetic acid;

DOI:10.1021/ja01636a030

Reference yield:

N-(2-acetylamino-ethyl)-N'-nitro-urea (66907-95-7) + acetic acid (64-19-7,77671-22-8) + acetyl chloride (75-36-5) → 1,3-diacetylimidazolin-2-one (5391-40-2)

Guidance literature:

DOI:10.1021/ja01636a030

Reference yield:

→ 1,3-diacetylimidazolin-2-one (5391-40-2)

Guidance literature:

Imidazolidin-2-on, sd. Ac2O, 4 h;

DOI:10.1039/jr9640000176

upstream raw materials:

N-(2-acetylamino-ethyl)-N'-nitro-urea

acetic acid

acetyl chloride