2-(4-Nitro-1H-pyrazol-3-yl)pyridine

Base Information

• Chemical Name: 2-(4-Nitro-1H-pyrazol-3-yl)pyridine
• CAS No.: 192711-20-9
• Molecular Formula: C₈H₆N₄O₂
• Molecular Weight: 190.161
• DSSTox Substance ID: DTXSID90595713
• Nikkaji Number: J3.139.698K
• Wikidata: Q82490782
• Mol file: 192711-20-9.mol

Synonyms:2-(4-Nitro-1H-pyrazol-3-yl)pyridine;192711-20-9;2-(4-nitro-1H-pyrazol-5-yl)pyridine;Pyridine, 2-(4-nitro-1H-pyrazol-3-yl)-;MFCD14657952;SCHEMBL3584585;DTXSID90595713;YRKGZAPVVJYLGV-UHFFFAOYSA-N;2-(4-Nitro-3-pyrazolyl)pyridine;AMY34667;AKOS010654384;GS-5754;SB22790;2-(4-nitro-1H-pyrazol-3-yl)-pyridine;SY100374;DB-111580;CS-0052269;EN300-299820;P15318;Z815438456

Chemical Property of 2-(4-Nitro-1H-pyrazol-3-yl)pyridine

Chemical Property:

• Boiling Point: 433.0±30.0 °C(Predicted)
• PKA: 6.99±0.50(Predicted)
• PSA: 87.39000
• Density: 1.447±0.06 g/cm3(Predicted)
• LogP: 1.90310
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.04907545
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Nitro-1H-pyrazol-3-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=C(C=NN2)[N+](=O)[O-]

Technology Process of 2-(4-Nitro-1H-pyrazol-3-yl)pyridine

There total 1 articles about 2-(4-Nitro-1H-pyrazol-3-yl)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: 99.0%

2-(1H-pyrazol-3-yl)pyridine (75415-03-1,192777-54-1) → 2-(4-nitro-1H-pyrazol-3-yl)pyridine (192711-20-9)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 20 ℃;

Reference yield:

2-(4-nitro-1H-pyrazol-3-yl)pyridine (192711-20-9) → 4-(4-nitro-3-(pyridin-2-yl)-1H-pyrazol-1-yl)cyclohexan-1-one

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / tetrahydrofuran; N,N-dimethyl-formamide / 16 h / 100 °C

2: pyridinium p-toluenesulfonate / water; acetone / 16 h / 80 °C

With pyridinium p-toluenesulfonate; caesium carbonate; In tetrahydrofuran; water; N,N-dimethyl-formamide; acetone;

Reference yield:

2-(4-nitro-1H-pyrazol-3-yl)pyridine (192711-20-9) → 2-((1-(trans)-4-ethoxycyclohexyl)-4-nitro-1H-pyrazol-3-yl)pyridine

Guidance literature:

Multi-step reaction with 4 steps

1: caesium carbonate / tetrahydrofuran; N,N-dimethyl-formamide / 16 h / 100 °C

2: pyridinium p-toluenesulfonate / water; acetone / 16 h / 80 °C

3: sodium tetrahydroborate; methanol / 0.5 h / 0 °C

4: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / -20 - 20 °C

With methanol; sodium tetrahydroborate; pyridinium p-toluenesulfonate; sodium hydride; caesium carbonate; In tetrahydrofuran; water; N,N-dimethyl-formamide; acetone; mineral oil;

upstream raw materials:

2-(1H-pyrazol-3-yl)pyridine

Downstream raw materials:

3-(pyridin-2-yl)-1H-pyrazol-4-amine

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