5-Nitropyrimidine

Base Information

• Chemical Name: 5-Nitropyrimidine
• CAS No.: 14080-32-1
• Molecular Formula: C4H3N3O2
• Molecular Weight: 125.087
• Hs Code.: 2933599090
• European Community (EC) Number: 694-478-3
• DSSTox Substance ID: DTXSID50452878
• Nikkaji Number: J672.453A
• Wikidata: Q72496202
• Mol file: 14080-32-1.mol

Synonyms:5-nitropyrimidine;14080-32-1;Pyrimidine, 5-nitro-;Pyrimidine, 5-nitro- (8CI,9CI);5-nitro-pyrimidine;SCHEMBL57466;DTXSID50452878;AKOS006237123;SB55689;CS-0078935;FT-0660915;EN300-88336;A885792

Chemical Property of 5-Nitropyrimidine

Chemical Property:

• Vapor Pressure: 0.031mmHg at 25°C
• Melting Point: 56-58℃
• Refractive Index: 1.575
• Boiling Point: 252.424 °C at 760 mmHg
• PKA: 0.59±0.10(Predicted)
• Flash Point: 106.463 °C
• PSA: 71.60000
• Density: 1.426 g/cm³
• LogP: 0.90800
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 125.022526347
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

5-Nitropyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)[N+](=O)[O-]

Technology Process of 5-Nitropyrimidine

There total 2 articles about 5-Nitropyrimidine 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: 21.0%

2,4-dihydrazinyl-5-nitropyrimidine (3856-09-5) → 5-nitropyrimidine (14080-32-1)

Guidance literature:

With acetic acid; silver carbonate; In chloroform; water; for 1.5h;

DOI:10.1021/jo502865f

Reference yield:

→ 5-nitropyrimidine (14080-32-1)

Guidance literature:

4,6-Dihydrasino-5-nitropyrimidin (4), Silberacetat;

Reference yield: 86.0%

2-phenylacetamidine (5504-24-5) + 5-nitropyrimidine (14080-32-1) → 2-amino-3-phenyl-5-nitropyridine (79899-29-9)

Guidance literature:

In ethanol; at 78 ℃; for 0.25h;

DOI:10.1021/jo00164a007

upstream raw materials:

2,4-dihydrazinyl-5-nitropyrimidine

Downstream raw materials:

6,7-dihydro-3-nitro-5H-cyclopentapyridine

5,6,7,8-tetrahydro-3-nitro-quinoline

3-nitro-6,7,8,9-tetrahydro-5H-cycloheptapyridine

6-methyl-3-nitro-5,6,7,8-tetrahydro[1,6]naphthyridine

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