Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate

Base Information

• Chemical Name: Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate
• CAS No.: 618900-69-9
• Molecular Formula: C₁₃H₁₈N₄O₄
• Molecular Weight: 294.31
• European Community (EC) Number: 612-591-8
• DSSTox Substance ID: DTXSID501186440
• Mol file: 618900-69-9.mol

Synonyms:SCHEMBL13506830;DTXSID501186440;Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate;AKOS008922033;618900-69-9

Chemical Property of Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate

Chemical Property:

• Vapor Pressure: 1.31E-08mmHg at 25°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 294.13280507
• Heavy Atom Count: 21
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC2=C(C=CC=N2)[N+](=O)[O-]

Technology Process of Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate

There total 3 articles about Ethyl 4-[(3-nitro-2-pyridinyl)amino]-1-piperidinecarboxylate 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: 100.0%

2-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + ethyl 4-aminopiperidine-1-carboxylate (58859-46-4) → Ethyl 4-(3-nitropyridin-2-ylamino)piperidine-1-carboxylate (618900-69-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; Inert atmosphere;

Reference yield: 99.0%

2-fluoro-3-nitropyridine (1480-87-1) + ethyl 4-aminopiperidine-1-carboxylate (58859-46-4) → Ethyl 4-(3-nitropyridin-2-ylamino)piperidine-1-carboxylate (618900-69-9)

Guidance literature:

With potassium carbonate; In toluene; Heating / reflux;

Reference yield:

ethyl 4-aminopiperidine-1-carboxylate (58859-46-4) → Ethyl 4-(3-nitropyridin-2-ylamino)piperidine-1-carboxylate (618900-69-9)

Guidance literature:

With sodium carbonate; potassium iodide; In cyclohexanol; at 180 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.bmcl.2006.07.044

upstream raw materials:

2-Chloro-3-nitropyridine

ethyl 4-aminopiperidine-1-carboxylate

2-fluoro-3-nitropyridine

Downstream raw materials:

1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

ethyl 4-(3-aminopyridin-2-ylamino)piperidine-1-carboxylate