5-Nitropyrimidine-2,4,6-triol

Base Information

• Chemical Name: 5-Nitropyrimidine-2,4,6-triol
• CAS No.: 1071306-40-5
• Molecular Formula: C₄H₃N₃O₅
• Molecular Weight: 173.085
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80549907
• Wikidata: Q82429096
• Mol file: 1071306-40-5.mol

Synonyms:5-Nitropyrimidine-2,4,6-triol;1071306-40-5;6-hydroxy-5-nitro-1H-pyrimidine-2,4-dione;106351-49-9;6-HYDROXY-5-NITROPYRIMIDINE-2,4-DIONE;5-Nitro-pyrimidine-2,4,6-triol;6-Hydroxy-5-nitropyrimidine-2,4(1H,3H)-dione;5-Nitro-2,4,6-trihydroxypyrimidine;5-Nitrobarbitursaure;SCHEMBL3633581;DTXSID80549907;CS-D1312;AKOS001587363;AKOS016012570;EU-0001125;W18733

Chemical Property of 5-Nitropyrimidine-2,4,6-triol

Chemical Property:

• PSA: 132.29000
• LogP: 0.02480
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 173.00727020
• Heavy Atom Count: 12
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

5-Nitropyrimidine-2,4,6-triol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(NC(=O)NC1=O)O)[N+](=O)[O-]

Technology Process of 5-Nitropyrimidine-2,4,6-triol

There total 14 articles about 5-Nitropyrimidine-2,4,6-triol 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: 100.0%

BARBITURIC ACID (67-52-7,944357-77-1) → dilituric acid (480-68-2,1071306-40-5)

Guidance literature:

With Nitrogen dioxide; for 4h; under 225.02 Torr;

DOI:10.1021/jo00122a031

Reference yield:

5-bromo-5-nitrobarbituric acid (73730-97-9) + water (7732-18-5) → bromopicrin (464-10-8) + dilituric acid (480-68-2,1071306-40-5) + urea (57-13-6)

Guidance literature:

Reference yield:

anthracene (120-12-7) → dilituric acid (480-68-2,1071306-40-5) + 9-nitroanthrone (6313-44-6) + 9,10-phenanthrenequinone (84-65-1) + 9-Nitro-10-nitroso-9,10-dihydro-anthracene

Guidance literature:

With Nitrogen dioxide; at 25 ℃; for 3h; under 225.02 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00122a031

upstream raw materials:

BARBITURIC ACID

violuric acid

[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone

anthracene

Downstream raw materials:

2,4,6-trichloro-5-nitropyrimidine

5-chloro-5-nitrobarbituric acid

5-bromo-5-nitrobarbituric acid