4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride

Base Information

• Chemical Name: 4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride
• CAS No.: 105757-72-0
• Molecular Formula: C14H14NO.Cl
• Molecular Weight: 247.724
• DSSTox Substance ID: DTXSID20549603
• Mol file: 105757-72-0.mol

Synonyms:105757-72-0;4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride;DTXSID20549603;SR-01000323954;SR-01000323954-1

Chemical Property of 4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.0763918
• Heavy Atom Count: 17
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2.[Cl-]

Technology Process of 4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride

There total 1 articles about 4-Methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride 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: 85.0%

picoline (108-89-4) + 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 1-[2-oxo-2-(phenyl)ethyl]-4-methylpyridinium chloride (105757-72-0)

Guidance literature:

In ethyl acetate; for 24h; Reflux;

DOI:10.1016/j.ejmech.2012.11.008

Reference yield: 78.0%

1-[2-oxo-2-(phenyl)ethyl]-4-methylpyridinium chloride (105757-72-0) + Ethoxymethylenemalononitrile (123-06-8) → 3-(2-cyanoacrylonitrile)-benzoyl-4-methylaminopyridinium methylide

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 70 ℃; for 24h;

DOI:10.1016/j.bmcl.2013.08.088

Reference yield: 37.0%

thiocyanato-acetic acid ethyl ester (5349-28-0) + 1-[2-oxo-2-(phenyl)ethyl]-4-methylpyridinium chloride (105757-72-0) → ethyl 2-sulfanylacetate (623-51-8) + C15H12N2O

Guidance literature:

With potassium carbonate; In chloroform; Ambient temperature;

DOI:10.1246/bcsj.69.1769

upstream raw materials:

picoline

1-chloroacetophenone

Downstream raw materials:

C₁₉H₁₉NO₃S₂

ethyl 2-sulfanylacetate

4-methylpyridinium 1-(1-benzoyl-2-ethylthio-2-thioxo)ethanide

C₁₉H₁₇NO₂S₂