Nicotinamide, N-(2-pyridyl)-

Base Information

• Chemical Name: Nicotinamide, N-(2-pyridyl)-
• CAS No.: 13160-07-1
• Molecular Formula: C₁₁H₉N₃O
• Molecular Weight: 199.212
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60157125
• Nikkaji Number: J68.279I
• Wikidata: Q72504726
• ChEMBL ID: CHEMBL1881834
• Mol file: 13160-07-1.mol

Synonyms:13160-07-1;N-(PYRIDIN-2-YL)NICOTINAMIDE;N-(2-Pyridyl)nicotinamide;Nicotinamide, N-(2-pyridyl)-;3-Pyridinecarboxamide, N-2-pyridinyl-;BRN 0151158;N-(2-pyridinyl)nicotinamide;AI3-15755;N-(pyridin-2-yl)pyridine-3-carboxamide;5-22-08-00418 (Beilstein Handbook Reference);N-pyridin-2-ylpyridine-3-carboxamide;Oprea1_209030;Oprea1_360910;MLS000082014;SCHEMBL6646471;CHEMBL1881834;SCHEMBL11614333;DTXSID60157125;HMS2168C20;HMS3319D10;N-(2-pyridyl)pyridine-3-carboxamide;STK492621;AKOS001012936;LS-96460;SMR000061353;CS-0334502;AH-034/11107333;Z56836501

Chemical Property of Nicotinamide, N-(2-pyridyl)-

Chemical Property:

• Vapor Pressure: 0.0027mmHg at 25°C
• Melting Point: 139-142 °C
• Refractive Index: 1.658
• Boiling Point: 286.1 °C at 760 mmHg
• Flash Point: 127 °C
• PSA: 54.88000
• Density: 1.287 g/cm³
• LogP: 1.80190
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.074561919
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

N-(Pyridin-2-yl)nicotinamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)NC(=O)C2=CN=CC=C2

Technology Process of Nicotinamide, N-(2-pyridyl)-

There total 11 articles about Nicotinamide, N-(2-pyridyl)- 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: 86.0%

2-aminopyridine (504-29-0) + 3-iodopyridine (1120-90-7) + carbon monoxide (201230-82-2) → N-(2-pyridyl)-3-pyridinecarboxamide (13160-07-1)

Guidance literature:

With palladium diacetate; potassium carbonate; In glycerol; at 60 ℃; for 12h; under 20521.4 Torr; Solvent; chemoselective reaction; Autoclave; Green chemistry;

DOI:10.1039/c8cc03858a

Reference yield: 83.0%

2-chloropyridine (109-09-1) + nicotinamide (98-92-0,1255150-40-3) → N-(2-pyridyl)-3-pyridinecarboxamide (13160-07-1)

Guidance literature:

With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; potassium carbonate; In 1,4-dioxane; at 170 ℃; for 24h; Sealed tube;

DOI:10.1039/c3ra43368d

Reference yield: 83.0%

3-pyridinecarboxaldehyde (500-22-1) + 2-aminopyridine (504-29-0) → N-(2-pyridyl)-3-pyridinecarboxamide (13160-07-1)

Guidance literature:

With tert.-butylhydroperoxide; 1-(3-sulfopropyl)pyridinium phosphotungstate; In water; at 70 ℃; for 0.833333h; Microwave irradiation;

DOI:10.1039/C6RA20961K

upstream raw materials:

2-aminopyridine

nicotinic acid

3-pyridinecarbonyl chloride

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

phenyl (2-(pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl)methanone

Refernces

• 1、 Aakeroey, Christer B.,Panikkattu, Sheelu V.,Dehaven, Baillie,Desper, John. "Establishing supramolecular control over solid-state architectures: A simple mix and match strategy". . p. 2579 - 2587. Retrieved 2012.
• 2、 Mamone, Marius,Aziz, Jessy,Le Bescont, Julie,Piguel, Sandrine. "Aminocarbonylation of N -Containing Heterocycles with Aromatic Amines Using Mo(CO) 6". . p. 1521 - 1526. Retrieved 2018.
• 3、 Messa, Francesco,Perrone, Serena,Capua, Martina,Tolomeo, Francesco,Troisi, Luigino,Capriati, Vito,Salomone, Antonio. "Towards a sustainable synthesis of amides: chemoselective palladium-catalysed aminocarbonylation of aryl iodides in deep eutectic solvents". supporting information. p. 8100 - 8103. Retrieved 2018/07/29.