1-(2,4-Dinitrophenyl)pyrimidine-2,4-dione

Base Information

• Chemical Name: 1-(2,4-Dinitrophenyl)pyrimidine-2,4-dione
• CAS No.: 903572-19-0
• Molecular Formula: C10H6N4O6
• Molecular Weight: 278.181
• DSSTox Substance ID: DTXSID70468577
• Nikkaji Number: J2.326.734I
• Wikidata: Q82295844
• Mol file: 903572-19-0.mol

Synonyms:1-(2,4-dinitrophenyl)pyrimidine-2,4-dione;1-(2,4-dinitrophenyl)uracil;903572-19-0;1-(2,4-dinitro-phenyl)-1h-pyrimidine-2,4-dione;DTXSID70468577

Chemical Property of 1-(2,4-Dinitrophenyl)pyrimidine-2,4-dione

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 278.02873392
• Heavy Atom Count: 20
• Complexity: 493

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=CC(=O)NC2=O

Technology Process of 1-(2,4-Dinitrophenyl)pyrimidine-2,4-dione

There total 2 articles about 1-(2,4-Dinitrophenyl)pyrimidine-2,4-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: 95.0%

uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(2,4-dinitro-phenyl)-1H-pyrimidine-2,4-dione (903572-19-0)

Guidance literature:

With zinc(II) oxide; at 130 ℃; for 0.5h; Ionic liquid;

DOI:10.1007/BF03246033

Reference yield: 62.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 1-(2,4-dinitro-phenyl)-1H-pyrimidine-2,4-dione (903572-19-0)

Guidance literature:

uracil; With triethylamine; In dimethyl sulfoxide; at 50 ℃; for 0.25h;

2,4-Dinitrofluorobenzene; In dimethyl sulfoxide; at 25 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2006.04.130

Reference yield: 85.0%

1-(2,4-dinitro-phenyl)-1H-pyrimidine-2,4-dione (903572-19-0) + methyl iodide (74-88-4) → 1-(2,4-dinitrophenyl)-3-methyluracil (934802-62-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.tet.2007.01.040

upstream raw materials:

2,4-Dinitrofluorobenzene

uracil

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

1-(2,4-dinitrophenyl)-5-nitrouracil

1-(2,4-dinitrophenyl)-3-methyluracil

1-(2,4-dinitrophenyl)-3-methyl-5-nitrouracil

1-(2,4-dinitrophenyl)-3-phenylurea