imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione

Base Information

• Chemical Name: imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione
• CAS No.: 67410-57-5
• Molecular Formula: C5H4N4O2
• Molecular Weight: 152.11100
• DSSTox Substance ID: DTXSID50452030
• Nikkaji Number: J1.583.786A
• ChEMBL ID: CHEMBL3275939
• Mol file: 67410-57-5.mol

Synonyms:67410-57-5;imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione;Imidazo[1,2-a][1,3,5]triazine-2,4-diol;1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione;SCHEMBL2450155;CHEMBL3275939;SCHEMBL18776508;SCHEMBL19742578;DTXSID50452030;AS-78508;D93246;EN300-4842041;Imidazo[1,2-a]-1,3,5-triazine-2,4(3H,8H)-dione

Chemical Property of imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione

Chemical Property:

• PSA: 83.54000
• LogP: -0.46450
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.03342538
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Imidazo[1,2-a]-1,3,5-triazine-2,4(1H,3H)-dione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=N1)NC(=O)NC2=O

Technology Process of imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione

There total 3 articles about imidazo[1,2-a][1,3,5]triazine-2,4(1H,3H)-dione 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: 90.0%

2-aminoimidazole hemisulfate (1450-93-7,36946-29-9,42383-61-9) + phenyl isocyanatoformate (5843-43-6) → imidazo[1,2-a]-1,3,5-triazine-2(8H),4(3H)-dione (67410-57-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1021/jo005743h

Reference yield:

→ 1(8)H-imidazo[1,2-a][1,3,5]triazine-2,4-dione (67410-57-5)

Guidance literature:

Triazolderivat (10), Natriumethanolat;

Reference yield:

→ imidazo[1,2-a]-1,3,5-triazine-2(8H),4(3H)-dione (67410-57-5)

Guidance literature:

Phenoxycarbonylisocyanat, 2-Aminoimidazoliumsulfat, Py (S. 4793);

DOI:10.1021/jo00419a016

upstream raw materials:

2-aminoimidazole hemisulfate

phenyl isocyanatoformate

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