1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

Base Information

• Chemical Name: 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
• CAS No.: 59564-78-2
• Molecular Formula: C19H18N2O5
• Molecular Weight: 354.362
• Hs Code.: 2933990090
• European Community (EC) Number: 261-806-8
• DSSTox Substance ID: DTXSID70965915
• Nikkaji Number: J57.994G
• Mol file: 59564-78-2.mol

Synonyms:59564-78-2;1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid;1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid;EINECS 261-806-8;4,5-Imidazolidinedicarboxylic acid, 2-oxo-1,3-bis(phenylmethyl)-;1,3-dibenzyl-2-imidazolidone-4,5-dicarboxylic acid;1,3-Dibenzyl-2-imidax zolidone-cis-4,5-dicarboxylic;EINECS 257-308-5;C19-H18-N2-O5;cis-1,3-dibenzyl-2-imidazolidone-4,5-dicarboxylic acid;SCHEMBL351271;DTXSID70965915;BCA59175;AKOS015889494;AS-69511;CS-0156311;D3309;FT-0640611;METHYL3-(BUTYLAMINO)-2-METHYLPROPANOATE;A832369;1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 97%;(4S,5R)-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid;1,3-bis(2-furyl)propane-1,3-dione;1,3-Dibenzyl-2-imidazolidone-cis-4,5-dicarboxylic acid(intermediate of D-biotin)

Chemical Property of 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: 170-174 °C(lit.)
• Boiling Point: 654.2 °C at 760 mmHg
• PKA: 3.74±0.40(Predicted)
• Flash Point: 349.5 °C
• PSA: 98.15000
• Density: 1.426 g/cm³
• LogP: 1.90660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 354.12157168
• Heavy Atom Count: 26
• Complexity: 494

Purity/Quality:

98.5% ^*data from raw suppliers

1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)C(=O)O)C(=O)O

Technology Process of 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

There total 4 articles about 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid 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: 99.3%

(4R,5S)-cis-1,3-dibenzyl-5-methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid → 2-oxo-1,3-dibenzyl-cis-4,5-imidazolidinedicarboxylic acid (59564-78-2)

Guidance literature:

With water; sodium hydroxide; at 28 ℃; for 2h; Reagent/catalyst;

Reference yield: 76.0%

2,3-bis(benzylamino)succinic acid + phenyl chloroformate (1885-14-9) → 2-oxo-1,3-dibenzyl-cis-4,5-imidazolidinedicarboxylic acid (59564-78-2)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; toluene;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + C18H18N2O4(2-)*2Na(1+) → 2-oxo-1,3-dibenzyl-cis-4,5-imidazolidinedicarboxylic acid (59564-78-2)

Guidance literature:

With potassium hydroxide; In water; toluene; at 10 - 30 ℃;

upstream raw materials:

phenyl chloroformate

bis(trichloromethyl) carbonate

Downstream raw materials:

1,3-dibenzyl-2-oxo-imidazolidine-4,5-dicarboxylic acid anhydride

Refernces

• 1、 -. "Preparation method of cis-1, 3-dibenzylimidazole-2-one-4, 5-dicarboxylic acid". Paragraph 0081; 0085; 0086; 0087; 0089. . Retrieved 2018/07/07.