1-Methyl-4-(5-nitropyridin-2-yl)piperazine

Base Information

• Chemical Name: 1-Methyl-4-(5-nitropyridin-2-yl)piperazine
• CAS No.: 55403-34-4
• Molecular Formula: C10H14N4O2
• Molecular Weight: 222.247
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50377279
• Wikidata: Q82166443
• Mol file: 55403-34-4.mol

Synonyms:55403-34-4;1-methyl-4-(5-nitropyridin-2-yl)piperazine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;2-(4-Methyl-1-piperazinyl)-5-nitropyridine;2-(4-Methylpiperazin-1-yl)-5-nitropyridine;Piperazine, 1-methyl-4-(5-nitro-2-pyridinyl)-;MFCD03001270;SCHEMBL854731;DTXSID50377279;DZIASOMGGPNYCU-UHFFFAOYSA-N;STL406349;AKOS001299543;CS-W002979;2-(N-methylpiperazino)-5-nitropyridine;SY003484;AM20061866;FT-0647182;EN300-26075;5R-0318;A849535;Z57727172;1-Methyl-4-(5-nitro-pyridin-2-yl)-piperazine

Chemical Property of 1-Methyl-4-(5-nitropyridin-2-yl)piperazine

Chemical Property:

• Vapor Pressure: 3.89E-06mmHg at 25°C
• Melting Point: 108-110°C
• Refractive Index: 1.582
• Boiling Point: 385.1 °C at 760 mmHg
• Flash Point: 186.7 °C
• PSA: 65.19000
• Density: 1.249g/cm³
• LogP: 1.26770
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 222.11167570
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-4-(5-nitro-2-pyridinyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Methyl-4-(5-nitropyridin-2-yl)piperazine

There total 6 articles about 1-Methyl-4-(5-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: 99.0%

1-methyl-piperazine (109-01-3) + 2-bromo-5-nitropyridine (4487-59-6) → 1-methyl-4-(5-nitropyridin-2-yl)piperazine (55403-34-4)

Guidance literature:

In acetonitrile; for 1.5h; Heating / reflux;

Reference yield: 97.0%

1-methyl-piperazine (109-01-3) + 2-chloro-5-nitropyridine (4548-45-2) → 1-methyl-4-(5-nitropyridin-2-yl)piperazine (55403-34-4)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 80 ℃; for 4h;

DOI:10.3390/molecules17044703

Reference yield: 87.0%

1-methyl-piperazine (109-01-3) + 2-iodo-5-nitropyridine (28080-54-8) → 1-methyl-4-(5-nitropyridin-2-yl)piperazine (55403-34-4)

Guidance literature:

With copper(l) iodide; 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-one; caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 19h; Inert atmosphere;

DOI:10.1039/b821212k

upstream raw materials:

1-methyl-piperazine

2-chloro-5-nitropyridine

2-bromo-5-nitropyridine

2-iodo-5-nitropyridine

Downstream raw materials:

2-(6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-acetamide

N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetamide

6-(4-methyl-1-piperazinyl)-3-pyridinamine hydrochloride

netupitant

Refernces

• 1、 -. "Ligand compound for copper catalyzed aryl halide coupling reaction, catalytic system and coupling reaction". Paragraph 0086-0091; 0098. . Retrieved 2021/05/29.
• 2、 -. "WEE1 inhibitors as well as preparation and application thereof". Paragraph 0628-0634. . Retrieved 2020/10/14.