2-Cyano-1-methylpyridinium iodide

Base Information

• Chemical Name: 2-Cyano-1-methylpyridinium iodide
• CAS No.: 3785-03-3
• Molecular Formula: C7H8N2
• Molecular Weight: 246.05
• NSC Number: 149966
• UNII: 0A734S773X
• DSSTox Substance ID: DTXSID90383612
• Wikidata: Q27236526
• Mol file: 3785-03-3.mol

Synonyms:2-cyano-1-methylpyridinium iodide;3785-03-3;PCNM;2-Cyano-N-methylpyridinium iodide;1-methylpyridin-1-ium-2-carbonitrile;iodide;1-Methyl-2-cyanopyridinium iodide;0A734S773X;NSC-149966;Pyridinium, 2-cyano-1-methyl-, iodide;Pyridinium, 2-cyano-1-methyl-, iodide (1:1);2-cyano-1-methylpyridin-1-ium iodide;UNII-0A734S773X;DTXSID90383612;NSC149966;NSC 149966;Q27236526

Chemical Property of 2-Cyano-1-methylpyridinium iodide

Chemical Property:

• Vapor Pressure: 0.00867mmHg at 25°C
• Boiling Point: 266.4°Cat760mmHg
• Flash Point: 119.7°C
• Density: 1.05g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 245.96540
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=CC=C1C#N.[I-]

Technology Process of 2-Cyano-1-methylpyridinium iodide

There total 2 articles about 2-Cyano-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: 83.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + methyl iodide (74-88-4) → ortho-N-Methylcyanopyridinium iodide (3785-03-3)

Guidance literature:

In ethanol; for 5h; Inert atmosphere; Cooling with ice;

Reference yield:

pralidoxime iodide (94-63-3,29603-75-6,74070-01-2) → ortho-N-Methylcyanopyridinium iodide (3785-03-3)

Guidance literature:

In water; at 75 ℃; Solvent;

DOI:10.1002/cplu.202100373

Reference yield: 88.0%

1-phenylindoline-2-thione (73425-20-4) + ortho-N-Methylcyanopyridinium iodide (3785-03-3) → 3-methyl-11-phenyl-2,3,6,11-tetrahydro-2,6-methano[1,3]thiazocino[8,7-b]indole-4-carbonitrile (1410792-76-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.09.059

upstream raw materials:

2-Cyanopyridine

methyl iodide

pralidoxime iodide

Downstream raw materials:

2-(Hydroxyamino-iminomethyl)-1-methyl-pyridiniumiodid

3-methyl-11-phenyl-2,3,6,11-tetrahydro-2,6-methano[1,3]thiazocino[8,7-b]indole-4-carbonitrile

hydrogen cyanide

2-piperidino-N-methylpyridinium iodide