N-(4-nitrophenyl)piperidine-1-carboxamide

Base Information

• Chemical Name: N-(4-nitrophenyl)piperidine-1-carboxamide
• CAS No.: 2589-20-0
• Molecular Formula: C12H15 N3 O3
• Molecular Weight: 249.269
• NSC Number: 112787
• DSSTox Substance ID: DTXSID20948793
• Wikidata: Q82926621
• ChEMBL ID: CHEMBL1561734
• Mol file: 2589-20-0.mol

Synonyms:N-(4-nitrophenyl)piperidine-1-carboxamide;2589-20-0;NSC112787;Oprea1_534391;MLS000730564;SCHEMBL9435700;CHEMBL1561734;DTXSID20948793;HMS2768G03;STK133707;AKOS001801087;NSC-112787;SMR000308840;N-(4-nitrophenyl)-1-piperidinecarboxamide;EU-0058106;SR-01000094487;SR-01000094487-1

Chemical Property of N-(4-nitrophenyl)piperidine-1-carboxamide

Chemical Property:

• Vapor Pressure: 1.74E-09mmHg at 25°C
• Boiling Point: 483°Cat760mmHg
• Flash Point: 245.9°C
• Density: 1.326g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 249.11134135
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-(4-nitrophenyl)piperidine-1-carboxamide

There total 3 articles about N-(4-nitrophenyl)piperidine-1-carboxamide 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: 96.0%

piperidine (110-89-4) + carbon monoxide (201230-82-2) + 4-nitro-aniline (100-01-6,104810-17-5) → N-(4-nitrophenyl)-N',N'-(1,5-pentamethylenediyl)urea (2589-20-0)

Guidance literature:

With copper diacetate; air; palladium diacetate; In toluene; for 24h; under 760 Torr; Heating;

DOI:10.1021/jo060612n

Reference yield: 89.0%

piperidine (110-89-4) + 4-Nitrophenyl isocyanate (100-28-7) → N-(4-nitrophenyl)-N',N'-(1,5-pentamethylenediyl)urea (2589-20-0)

Guidance literature:

In dichloromethane; at -10 - 20 ℃; Inert atmosphere;

DOI:10.3390/molecules22101688

Reference yield:

piperidine (110-89-4) + p-nitrophenylurea (556-10-5) → N-(4-nitrophenyl)-N',N'-(1,5-pentamethylenediyl)urea (2589-20-0)

Guidance literature:

DOI:10.1021/ja01127a010

upstream raw materials:

piperidine

p-nitrophenylurea

4-Nitrophenyl isocyanate

carbon monoxide

Downstream raw materials:

piperidine

carbonic-acid

1,4-phenylenediamine

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