5-nitro-1H-pyrazolo[3,4-b]pyridine

Base Information

• Chemical Name: 5-nitro-1H-pyrazolo[3,4-b]pyridine
• CAS No.: 63572-73-6
• Molecular Formula: C₆H₄N₄O₂
• Molecular Weight: 164.123
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60493459
• Mol file: 63572-73-6.mol

Synonyms:5-nitro-1H-pyrazolo[3,4-b]pyridine;63572-73-6;MFCD11215386;1H-PYRAZOLO[3,4-B]PYRIDINE, 5-NITRO-;SCHEMBL1496173;5-nitropyrazolo[3,4-b]pyridine;DTXSID60493459;RXLQRSOJODHPES-UHFFFAOYSA-N;AMY14110;BCP27168;AKOS005169028;AKOS015922477;PB32945;SY097902;BB 0261317;CS-0043846;FT-0756003;5-Nitro-1H-pyrazolo[3 pound not4-b]pyridine;EN300-174070;A868102

Chemical Property of 5-nitro-1H-pyrazolo[3,4-b]pyridine

Chemical Property:

• Vapor Pressure: 8.33E-06mmHg at 25°C
• Melting Point: 212-213℃
• Refractive Index: 1.761
• Boiling Point: 385.6 °C at 760 mmHg
• PKA: 2.83±0.20(Predicted)
• Flash Point: 187 °C
• PSA: 87.39000
• Density: 1.638 g/cm³
• LogP: 1.38930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.03342538
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99%, ^*data from raw suppliers

5-Nitro-1H-pyrazolo[3,4-b]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=NNC2=NC=C1[N+](=O)[O-]

Technology Process of 5-nitro-1H-pyrazolo[3,4-b]pyridine

There total 1 articles about 5-nitro-1H-pyrazolo[3,4-b]pyridine 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: 75.0%

nitromalondialdehyde sodium salt (34461-00-2) + 3(5)-aminopyrazole (1225387-53-0) → 5-nitropyrazolo<3,4-b>pyridine (63572-73-6) + 3,6-Dimethyl-1-(4-nitro-phenyl)-1H-pyrazolo[3,4-b]pyridine (116835-08-6)

Guidance literature:

zinc(II) chloride; In hydrogenchloride; ethanol; for 1h; Heating;

DOI:10.1139/v88-074

Reference yield: 94.0%

5-nitropyrazolo<3,4-b>pyridine (63572-73-6) → 3-bromo-5-nitro-1H-pyrazolo[3,4-b]pyridine (1186608-83-2)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

Reference yield: 89.0%

5-nitropyrazolo<3,4-b>pyridine (63572-73-6) → 1H-pyrazolo[3,4-b]pyridin-5-amine (942185-01-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; for 15h;

upstream raw materials:

nitromalondialdehyde sodium salt

3⁽⁵⁾-aminopyrazole

Downstream raw materials:

1H-pyrazolo[3,4-b]pyridin-5-amine

3-bromo-5-nitro-1H-pyrazolo[3,4-b]pyridine

phenyl 1H-pyrazolo[3,4-b]pyridin-5-ylcarbamate

3-iodo-1-methyl-5-nitro-1H-indazole

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