3-Acetyl-1-methylpyridin-1-ium iodide

Base Information

• Chemical Name: 3-Acetyl-1-methylpyridin-1-ium iodide
• CAS No.: 6965-62-4
• Molecular Formula: C8H10NO+
• Molecular Weight: 263.078
• NSC Number: 69214
• DSSTox Substance ID: DTXSID60454388
• Mol file: 6965-62-4.mol

Synonyms:3-Acetyl-1-methylpyridin-1-ium iodide;6965-62-4;1-(1-methylpyridin-1-ium-3-yl)ethanone;iodide;3-ACETYL-1-METHYLPYRIDINIUM IODIDE;DTXSID60454388;NSC69214;NSC-69214;AKOS024331810

Chemical Property of 3-Acetyl-1-methylpyridin-1-ium iodide

Chemical Property:

• PSA: 20.95000
• LogP: -2.28230
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 262.98071
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3-ACETYL-1-METHYL-PYRIDINIUM, IODIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Acetyl-1-methylpyridin-1-ium iodide

There total 4 articles about 3-Acetyl-1-methylpyridin-1-ium 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: 99.0%

methyl-3-pyridylketone (350-03-8) + methyl iodide (74-88-4) → 3-acetyl-1-methylpyridinium iodide (6965-62-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 48h;

DOI:10.1080/00397910701483944

Reference yield:

C9H10(2)H4NO2(1+)*I(1-) → 3-acetyl-1-methylpyridinium iodide (6965-62-4)

Guidance literature:

Equilibrium constant;

DOI:10.1016/j.tetlet.2009.09.054

Reference yield:

C8H10(2)H2NO2(1+)*I(1-) → 3-acetyl-1-methylpyridinium iodide (6965-62-4)

Guidance literature:

Equilibrium constant;

DOI:10.1016/j.tetlet.2009.09.054

upstream raw materials:

methyl-3-pyridylketone

methyl iodide

Downstream raw materials:

1-{5-Acetyl-4-[2-(1-benzyl-1H-indol-2-yl)-2-oxo-ethyl]-1-methyl-1,4-dihydro-pyridin-3-yl}-2,2,2-trichloro-ethanone

1-(5-methyl-11-phenyl-2,5,6,11-tetrahydro-2,6-methano[1,5]thiazocino[2,3-b]indol-3-yl)ethanone

1-Methyl-3-(3'-hydroxy-3',3'-diphenylpropyn-1'-yl)piperidine

1-Methyl-3-(3'-hydroxy-3',3'-diphenylpropyn-1'-yl)piperidine methiodide