(2-Nitrophenyl)-piperidin-1-ylmethanone

Base Information

• Chemical Name: (2-Nitrophenyl)-piperidin-1-ylmethanone
• CAS No.: 26163-44-0
• Molecular Formula: C12H14N2O3
• Molecular Weight: 234.25
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50366067
• Nikkaji Number: J129.148C
• Wikidata: Q82151137
• Mol file: 26163-44-0.mol

Synonyms:26163-44-0;(2-nitrophenyl)-piperidin-1-ylmethanone;1-(2-NITROBENZOYL)PIPERIDINE;Methanone, (2-nitrophenyl)-1-piperidinyl-;(2-nitrophenyl)-1-piperidinylMethanone;Cambridge id 5286776;Oprea1_664229;DTXSID50366067;Piperidine, 1-(o-nitrobenzoyl)-;Piperidine, 1-(2-nitrobenzoyl)-;STK414148;AKOS002951431;(2-nitrophenyl)(piperidin-1-yl)methanone;FT-0704278;SR-01000203435;SR-01000203435-1

Chemical Property of (2-Nitrophenyl)-piperidin-1-ylmethanone

Chemical Property:

• Vapor Pressure: 5.4E-07mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 411.9 °C at 760 mmHg
• Flash Point: 202.9 °C
• PSA: 66.13000
• Density: 1.256 g/cm³
• LogP: 2.68200
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

(2-NITRO-PHENYL)-PIPERIDIN-1-YL-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Nitrophenyl)-piperidin-1-ylmethanone

There total 4 articles about (2-Nitrophenyl)-piperidin-1-ylmethanone 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: 88.0%

piperidine (110-89-4) + 2-nitro-benzaldehyde (552-89-6) → 2-nitrophenyl(piperidin-1-yl)methanone (26163-44-0)

Guidance literature:

With tert.-butylhydroperoxide; In 1,4-dioxane; at 60 ℃; for 8h; Inert atmosphere;

DOI:10.1002/cctc.202001041

Reference yield: 50.0%

piperidine (110-89-4) + 2-Nitrobenzyl alcohol (612-25-9) → 2-nitrophenyl(piperidin-1-yl)methanone (26163-44-0) + 3-(dimethylamino)benzaldehyde (619-22-7)

Guidance literature:

With dichloro(1,10-phenanthroline) copper(II); 1,2-bis(t-butyloxycarbonyl)hydrazine; potassium carbonate; In toluene; at 75 ℃; for 20h; Reagent/catalyst;

DOI:10.1021/acs.joc.6b01686

Reference yield:

piperidine (110-89-4) + 2-nitrobenzyl chloride (610-14-0) → 2-nitrophenyl(piperidin-1-yl)methanone (26163-44-0)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

piperidine

2-nitrobenzyl chloride

2-Nitrobenzyl alcohol

2-nitro-benzaldehyde

Downstream raw materials:

1-(2-nitro-thiobenzoyl)-piperidine

1-(2-acetylamino-benzoyl)-piperidine

2-(piperidin-1-yl-carbonyl)-aniline

Refernces

• 1、 Goel, Bharat,Vyas, Ved,Tripathi, Nancy,Kumar Singh, Ajit,Menezes, Prashanth W.,Indra, Arindam,Jain, Shreyans K.. "Amidation of Aldehydes with Amines under Mild Conditions Using Metal-Organic Framework Derived NiO@Ni Mott-Schottky Catalyst". . p. 5743 - 5749. Retrieved 2020/09/09.