3-Acetyl-1-benzylpyridinium chloride

Base Information

• Chemical Name: 3-Acetyl-1-benzylpyridinium chloride
• CAS No.: 5096-12-8
• Molecular Formula: C14H14NO+
• Molecular Weight: 212.2665
• NSC Number: 51898
• DSSTox Substance ID: DTXSID70965218
• Mol file: 5096-12-8.mol

Synonyms:3-Acetyl-1-benzylpyridinium chloride;NSC 51898;5096-12-8;Pyridinium, 3-acetyl-1-benzyl-, chloride;3-ACETYL-1-BENZYLPYRIDIN-1-IUM CHLORIDE;SCHEMBL2767719;DTXSID70965218;NSC51898;NSC-51898;LS-132135;1-(1-benzylpyridin-1-ium-3-yl)ethanone;chloride

Chemical Property of 3-Acetyl-1-benzylpyridinium 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: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]

Technology Process of 3-Acetyl-1-benzylpyridinium chloride

There total 2 articles about 3-Acetyl-1-benzylpyridinium 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:

methyl-3-pyridylketone (350-03-8) + benzyl chloride (100-44-7) → 3-acetyl-N-benzylpyridinium chloride (5096-12-8)

Guidance literature:

With methanol;

DOI:10.1021/ja01537a063

Reference yield:

→ 3-acetyl-N-benzylpyridinium chloride (5096-12-8)

Guidance literature:

3-Acetyl-pyridin, PhCH2Cl;

DOI:10.1021/jo00435a010

Reference yield: 80.0%

piperidine (110-89-4) + 3-acetyl-N-benzylpyridinium chloride (5096-12-8) → 1-(1'-Benzyl-3,4,5,6,1',2'-hexahydro-2H-[1,2']bipyridinyl-5'-yl)-ethanone (75340-25-9)

Guidance literature:

In neat (no solvent); for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)93695-6

upstream raw materials:

methyl-3-pyridylketone

benzyl chloride

Downstream raw materials:

N-benzyl-3-acetyl-1,4-dihydropyridine

3-Acetyl-1-benzyl-1,4-dihydro-pyridin-4-carbonitril

bis-(3-acetyl-1-benzyl-1,2-dihydro-[2]pyridyl)-ether

1-(1'-Benzyl-3,4,5,6,1',2'-hexahydro-2H-[1,2']bipyridinyl-5'-yl)-ethanone