4-(2,4-Dinitrophenyl)piperidine

Base Information

• Chemical Name: 4-(2,4-Dinitrophenyl)piperidine
• CAS No.: 120447-45-2
• Molecular Formula: C₁₁H₁₃N₃O₄
• Molecular Weight: 251.242
• DSSTox Substance ID: DTXSID40579700
• Wikidata: Q82470309
• Mol file: 120447-45-2.mol

Synonyms:4-(2,4-dinitrophenyl)piperidine;120447-45-2;4-(2,4-DINITROPHENYL)-PIPERIDINE;DTXSID40579700;A804509

Chemical Property of 4-(2,4-Dinitrophenyl)piperidine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 251.09060590
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-(2,4-Dinitrophenyl)piperidine

There total 3 articles about 4-(2,4-Dinitrophenyl)piperidine 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:

N-acetyl-4-(2,4-dinitrophenyl)piperidine (120447-44-1) → 4-(2,4-Dinitro-phenyl)-piperidine (120447-45-2)

Guidance literature:

With hydrogenchloride; Yield given; Heating;

DOI:10.1021/jm00126a013

Reference yield:

4-phenylpiperidine (771-99-3) → 4-(2,4-Dinitro-phenyl)-piperidine (120447-45-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent

2: 45 percent / conc. H₂SO₄, 90percent HNO₃ / a) r.t., 12 h, b) 100 deg C, 1 h

3: conc. HCl / Heating

With hydrogenchloride; sulfuric acid; nitric acid;

DOI:10.1021/jm00126a013

Reference yield:

1-(4-Phenyl-piperidin-1-yl)-ethanone (32245-87-7) → 4-(2,4-Dinitro-phenyl)-piperidine (120447-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / conc. H₂SO₄, 90percent HNO₃ / a) r.t., 12 h, b) 100 deg C, 1 h

2: conc. HCl / Heating

With hydrogenchloride; sulfuric acid; nitric acid;

DOI:10.1021/jm00126a013

upstream raw materials:

N-acetyl-4-(2,4-dinitrophenyl)piperidine

4-phenylpiperidine

1-(4-Phenyl-piperidin-1-yl)-ethanone