1-Methyl-3-phenylpyridinium iodide

Base Information

• Chemical Name: 1-Methyl-3-phenylpyridinium iodide
• CAS No.: 60684-91-5
• Molecular Formula: C12H12IN
• Molecular Weight: 297.138
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00542172
• Mol file: 60684-91-5.mol

Synonyms:60684-91-5;1-Methyl-3-phenylpyridinium iodide;1-Methyl-3-phenylpyridin-1-ium iodide;DTXSID00542172

Chemical Property of 1-Methyl-3-phenylpyridinium iodide

Chemical Property:

• PSA: 3.88000
• LogP: -0.81790
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 297.00145
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-3-phenylpyridinium iodide

There total 3 articles about 1-Methyl-3-phenylpyridinium 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%

3-phenylpyridine (1008-88-4) + methyl iodide (74-88-4) → iodure de 1-methyl-3-phenylpyridinium (60684-91-5)

Guidance literature:

In methanol; for 3h; Heating;

Reference yield: 92.0%

3-iodo-1-methyl-pyridinium (54560-56-4) + phenylboronic acid (98-80-6) → iodure de 1-methyl-3-phenylpyridinium (60684-91-5)

Guidance literature:

With potassium carbonate; In ethanol; water; at 50 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03480

Reference yield: 79.0%

tributylphenylstannane (960-16-7) + 3-bromo-N-methylpyridinium iodide (32222-42-7) → iodure de 1-methyl-3-phenylpyridinium (60684-91-5)

Guidance literature:

With tris-(o-tolyl)phosphine; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1055/s-2002-34903

upstream raw materials:

3-phenylpyridine

methyl iodide

tributylphenylstannane

3-bromo-N-methylpyridinium iodide

Downstream raw materials:

1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine

1-methyl-4-phenyl-1,2,5,6-tetrahydropyridine

1-methyl-5-phenylpyridin-2(1H)-one

(RS) 1-methyl-2-phenylpyrrolidine-2-carbaldehyde