1-(3-Nitropyridin-2-yl)piperazine

Base Information

• Chemical Name: 1-(3-Nitropyridin-2-yl)piperazine
• CAS No.: 87394-48-7
• Molecular Formula: C9H12N4O2
• Molecular Weight: 208.22
• Hs Code.: 29333990
• European Community (EC) Number: 674-717-8
• DSSTox Substance ID: DTXSID50396304
• Nikkaji Number: J1.800.321J
• Wikidata: Q72494204
• ChEMBL ID: CHEMBL296653
• Mol file: 87394-48-7.mol

Synonyms:1-(3-nitropyridin-2-yl)piperazine;87394-48-7;1-(3-Nitorpyridin-2-yl)piperazine;1-(3-Nitro-pyridin-2-yl)-piperazine;1-(3-nitro-2-pyridyl)piperazine;CHEMBL296653;1-(3-nitro-2-pyridinyl)piperazine;1-(3-nitro-pyridin-2-yl)piperazine;2-Piperazino-3-nitropyridine;SCHEMBL2898307;DTXSID50396304;HSAKGWZDXDRYTB-UHFFFAOYSA-N;2-(1-Piperazinyl)-3-nitropyridine;BDBM50027020;GS0769;MFCD05182227;STK360702;1-(3--Nitro-2-pyridinyl)piperazine;AKOS000123163;AKOS015940997;AS-9019;CS-0096054;FT-0678152;EN300-41963;J-503171;Z239096286

Chemical Property of 1-(3-Nitropyridin-2-yl)piperazine

Chemical Property:

• Vapor Pressure: 3.2E-06mmHg at 25°C
• Melting Point: 84-86 °C
• Refractive Index: 1.583
• Boiling Point: 387.8 °C at 760 mmHg
• PKA: 8.25±0.10(Predicted)
• Flash Point: 188.4 °C
• PSA: 73.98000
• Density: 1.278 g/cm³
• LogP: 1.31640
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 208.09602564
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Nitropyridin-2-yl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=CC=N2)[N+](=O)[O-]

Technology Process of 1-(3-Nitropyridin-2-yl)piperazine

There total 3 articles about 1-(3-Nitropyridin-2-yl)piperazine 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: 95.0%

piperazine (110-85-0) + 2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) → 1-(3-nitro-2-pyridinyl)piperazine (87394-48-7)

Guidance literature:

In acetonitrile; Heating / reflux;

Reference yield: 70.9%

→ 1-(3-nitro-2-pyridinyl)piperazine (87394-48-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1248/cpb.49.1406

Reference yield: 62.0%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + piperazine dihydrochloride (142-64-3,8006-71-1) → 1-(3-nitro-2-pyridinyl)piperazine (87394-48-7)

Guidance literature:

With triethylamine; In acetonitrile; for 2h; Reflux;

DOI:10.1016/j.ejmech.2014.07.001

upstream raw materials:

piperazine

2-Chloro-3-nitropyridine

piperazine dihydrochloride

Downstream raw materials:

1-[1,1-dimethylethoxycarbonyl]-4-[3-amino-2-pyridinyl]piperazine

[3-(1-methylethylamino)-2-pyridinyl]piperazine

1-[1,1-Dimethylethoxycarbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

[5-(3-amino-phenyl)-1H-pyrrol-2-yl]-[4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-methanone