3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone

Base Information

• Chemical Name: 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone
• CAS No.: 41730-71-6
• Molecular Formula: C6H7ClN2O3
• Molecular Weight: 190.586
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40459396
• Nikkaji Number: J1.415.257A
• Wikidata: Q72434942
• Mol file: 41730-71-6.mol

Synonyms:41730-71-6;3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone;1-Chlorocarbonyl-3-acetyl-2-imidazolidinone;3-acetyl-2-oxoimidazolidine-1-carbonyl chloride;3-acetyl-2-oxo-imidazolidine-1-carbonyl Chloride;SCHEMBL8628607;DTXSID40459396;CCRQBNJTBJRTJD-UHFFFAOYSA-N;AKOS006292337;FT-0639731;3-Acetyl-imidazolidin-2-on-1-carbonyl chloride;A825638;EN300-23019232;1-Acetyl-2-oxoimidazolidine-3-carboxylic acid chloride

Chemical Property of 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone

Chemical Property:

• Vapor Pressure: 0.00425mmHg at 25°C
• Melting Point: 102-104 °C
• Refractive Index: 1.549
• Boiling Point: 278.5 °C at 760 mmHg
• Flash Point: 122.2 °C
• PSA: 57.69000
• Density: 1.528 g/cm³
• LogP: 0.50510
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.0145198
• Heavy Atom Count: 12
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

3-Acetyl-2-oxo-imidazolidine-1-carbonylchloride 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CCN(C1=O)C(=O)Cl

Technology Process of 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone

There total 5 articles about 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone 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: 93.8%

1-acetylimidazolidin-2-one (5391-39-9) + bis(trichloromethyl) carbonate (32315-10-9) → 1-chlorocarbonyl-2-oxo-3-methylcarbonyl-imidazolidine (41730-71-6)

Guidance literature:

In benzene; at 55 - 60 ℃; for 3h;

Reference yield: 92.0%

1-acetylimidazolidin-2-one (5391-39-9) + trichloromethyl chloroformate (503-38-8) → 1-chlorocarbonyl-2-oxo-3-methylcarbonyl-imidazolidine (41730-71-6)

Guidance literature:

With pyridine; In benzene; at 50 - 55 ℃; for 2h;

DOI:10.1080/00304940009356767

Reference yield: 81.0%

→ 1-chlorocarbonyl-2-oxo-3-methylcarbonyl-imidazolidine (41730-71-6)

Guidance literature:

upstream raw materials:

1-acetylimidazolidin-2-one

trichloromethyl chloroformate

bis(trichloromethyl) carbonate

Downstream raw materials:

penicillin G

Refernces

• 1、 Su,Zhang. "The preparation of 3-substituted 1-chlorocarbonyl-imidazolidin-2-ones using bis(trichloromethyl) carbonate". . p. 440 - 441. Retrieved 2007/10/03.
• 2、 -. "Oxo-imidazolidine substituted cephalosporins and antibacterial compositions and methods of combatting bacteria employing them". . . Retrieved 2008/06/13.