5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
• CAS No.: 89978-00-7
• Molecular Formula: C8H6N6
• Molecular Weight: 186.176
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40475273
• Nikkaji Number: J3.001.915F
• Wikidata: Q72441819
• Mol file: 89978-00-7.mol

Synonyms:5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile;89978-00-7;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-amino-1-(2-pyrimidinyl)-1H-pyrazole-4-carbonitrile;1H-PYRAZOLE-4-CARBONITRILE, 5-AMINO-1-(2-PYRIMIDINYL)-;MFCD09056386;5-amino-1-pyrimidin-2-yl-pyrazole-4-carbonitrile;AP-501/43363596;SCHEMBL824637;AMY5687;DTXSID40475273;CS1332;AKOS005754096;PB31349;AC-31201;CS-0053676;FT-0726980;EN300-107894;Z277560082

Chemical Property of 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

Chemical Property:

• Boiling Point: 528.674 °C at 760 mmHg
• PKA: -2.06±0.33(Predicted)
• Flash Point: 273.533 °C
• PSA: 93.41000
• Density: 1.516 g/cm³
• LogP: 0.69738
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 186.06539422
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

5-amino-1-(pyrimidin-2-yl)-1h-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)N2C(=C(C=N2)C#N)N

Technology Process of 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

There total 2 articles about 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile 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: 84.0%

2-pyrimidinylhydrazine (7504-94-1) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-pyrimidin-2-yl-1H-pyrazole-4-carbonitrile (89978-00-7)

Guidance literature:

In ethanol; at 20 ℃; for 12h;

Reference yield:

→ 5-amino-1-pyrimidin-2-yl-1H-pyrazole-4-carbonitrile (89978-00-7)

Guidance literature:

entspr. 2-Hydrazinopyrimidin;

Reference yield: 99.0%

naphthol AS-RL (92-79-5) + 5-amino-1-pyrimidin-2-yl-1H-pyrazole-4-carbonitrile (89978-00-7) → C26H18N8O3 (1229115-36-9)

Guidance literature:

5-amino-1-pyrimidin-2-yl-1H-pyrazole-4-carbonitrile; With nitrosylsulfuric acid; phosphoric acid; sulfuric acid; at 5 ℃; for 0.75h;

With urea;

naphthol AS-RL; With sulfuric acid; In 1-methyl-pyrrolidin-2-one; 1-methoxy-2-propanol; at 15 - 25 ℃; for 2.66667h; Product distribution / selectivity;

upstream raw materials:

2-pyrimidinylhydrazine

Ethoxymethylenemalononitrile

Downstream raw materials:

C₁₂H₁₀N₁₂

C₂₂H₂₈N₁₀O₂

C₂₂H₁₇N₁₁

C₃₀H₂₀Cl₂N₁₆O₄