4-(2'-Pyridyl)-1-methylpyridinium iodide

Base Information

• Chemical Name: 4-(2'-Pyridyl)-1-methylpyridinium iodide
• CAS No.: 110462-45-8
• Molecular Formula: C11H11 N2 . I
• Molecular Weight: 298.1229
• UNII: DNT951W90D
• DSSTox Substance ID: DTXSID70911694
• Wikidata: Q27276501
• Mol file: 110462-45-8.mol

Synonyms:110462-45-8;4-(2'-Pyridyl)-1-methylpyridinium iodide;1-METHYL-4-(PYRIDIN-2-YL)PYRIDIN-1-IUM IODIDE;DNT951W90D;1'-Methyl-[2,4'-bipyridin]-1'-ium iodide;CCRIS 3330;UNII-DNT951W90D;starbld0030268;DTXSID70911694;1-methyl-4-pyridin-2-ylpyridin-1-ium;iodide;Q27276501;2,4'-BIPYRIDINIUM, 1'-METHYL-, IODIDE (1:1)

Chemical Property of 4-(2'-Pyridyl)-1-methylpyridinium iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 297.99670
• Heavy Atom Count: 14
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)C2=CC=CC=N2.[I-]

Technology Process of 4-(2'-Pyridyl)-1-methylpyridinium iodide

There total 3 articles about 4-(2'-Pyridyl)-1-methylpyridinium iodide 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%

4-(2-pyridyl)pyridine (581-47-5) + methyl iodide (74-88-4) → iodure de 1-methyl-4-(2-pyridyl)pyridinium (110462-45-8)

Guidance literature:

In acetonitrile; at 45 ℃; for 48h; Inert atmosphere;

DOI:10.1039/c5dt03753k

Reference yield:

4-(2-pyridyl)pyridine (581-47-5) + methyl iodide (74-88-4) → iodure de 1-methyl-4-(2-pyridyl)pyridinium (110462-45-8) + 1,1'-dimethyl-[2,4']bipyridyldiium; diiodide (63095-06-7)

Guidance literature:

With ethanol; at 100 - 110 ℃;

DOI:10.1039/jr9580001574

Reference yield:

[2,4']bipyridyl-3,3'-dicarboxylic acid (4433-02-7) → iodure de 1-methyl-4-(2-pyridyl)pyridinium (110462-45-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper-powder; nitrobenzene / 205 - 210 °C

2: ethanol / 100 - 110 °C

With ethanol; copper; nitrobenzene;

DOI:10.1039/jr9580001574

upstream raw materials:

4-(2-pyridyl)pyridine

methyl iodide

[2,4']bipyridyl-3,3'-dicarboxylic acid