Ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate
• CAS No.: 89694-35-9
• Molecular Formula: C₇H₈N₂O₅
• Molecular Weight: 200.151
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50371393
• Nikkaji Number: J1.633.003E
• Wikidata: Q82158709
• Mol file: 89694-35-9.mol

Synonyms:89694-35-9;ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate;Ethyl 2-(2,4,5-trioxo-1-imidazolidinyl)acetate;ethyl 2,4,5-trioxoimidazolidine-1-acetate;SCHEMBL6098531;DTXSID50371393;MFCD00665817;AKOS005071438;CS-0325976;FT-0680652;8M-728;Ethyl (2,4,5-trioxoimidazolidin-1-yl)acetate;J-520581;2-(2,4,5-Trioxo-1-imidazolidinyl)acetic acid ethyl ester

Chemical Property of Ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

Chemical Property:

• Melting Point: 160-162°
• Refractive Index: 1.507
• PSA: 92.78000
• Density: 1.436g/cm³
• LogP: -1.10540
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 200.04332136
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl2-(2,4,5-Trioxoimidazolidin-1-yl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C(=O)C(=O)NC1=O

Technology Process of Ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate

There total 2 articles about Ethyl 2-(2,4,5-trioxoimidazolidin-1-yl)acetate 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: 85.0%

oxalyl dichloride (79-37-8) + ethyl hydantoate (6293-20-5) → ethyl 2,4,5-trioxoimidazolidine-1-acetate (89694-35-9)

Guidance literature:

In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jm9508393

Reference yield:

→ ethyl 2,4,5-trioxoimidazolidine-1-acetate (89694-35-9)

Guidance literature:

N-Ethoxycarbonyl-methyl-harnstoff, Oxalylchlorid, Benzol, Siedetemp., 8 Std.;

Reference yield:

[4-({4-Bromo-2-[(2-hydroxyethoxy)methyl]phenyl}amino)-2-chlorophenyl](2-methylphenyl)methanone (500875-33-2) + ethyl 2,4,5-trioxoimidazolidine-1-acetate (89694-35-9) → ethyl 2-[3-(2-{5-bromo-[2-({3-chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)bezoyloxy}ethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate + 4-(2-{[5-Bromo-2-({3-chloro-4-[(2-methylphenyl)carbonyl]phenyl}amino)benzyl]oxy}ethyl)morpholine-3,5-dione (500876-00-6)

Guidance literature:

upstream raw materials:

oxalyl dichloride

ethyl hydantoate

Downstream raw materials:

[3-(4-Nitro-benzyl)-2,4,5-trioxo-imidazolidin-1-yl]-acetic acid ethyl ester

ethyl 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acetate

[3-(3-Fluoro-benzyl)-2,4,5-trioxo-imidazolidin-1-yl]-acetic acid

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