Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, chloride

Base Information

• Chemical Name: Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, chloride
• CAS No.: 104642-51-5
• Molecular Formula: C12H10N3O5.Cl
• Molecular Weight: 311.682
• DSSTox Substance ID: DTXSID20442564
• Mol file: 104642-51-5.mol

Synonyms:Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, chloride;104642-51-5;DTXSID20442564

Chemical Property of Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 311.0308981
• Heavy Atom Count: 21
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Technology Process of Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, chloride

There total 1 articles about Pyridinium, 1-(2,4-dinitrophenyl)-3-methoxy-, 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%

3-methoxypyridine (7295-76-3,1232006-42-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(2,4-dinitrophenyl)-3-methoxypyridinium chloride (104642-51-5)

Guidance literature:

In acetone; for 2.25h; Heating;

DOI:10.1021/jo0001636

Reference yield: 98.0%

1-(2,4-dinitrophenyl)-3-methoxypyridinium chloride (104642-51-5) + sodium dodecyl sulfate (2386-53-0) → 1-(2,4-dinitrophenyl)-3-methoxypyridinium dodecyl sulfate

Guidance literature:

In dichloromethane; for 3h; Heating;

DOI:10.1021/jo0001636

Reference yield:

1-(2,4-dinitrophenyl)-3-methoxypyridinium chloride (104642-51-5) → N-(5-Methoxy-3,6-dihydro-2H-pyridin-1-yl)-benzamide (104642-75-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Et₃N / 1.) MeOH, RT, overnight, 2.) dioxane, H₂O, reflux, 12 h

2: 73 percent / NaBH₄ / ethanol / 6 h / 0 °C

With sodium tetrahydroborate; triethylamine; In ethanol;

DOI:10.1021/jm00384a018

upstream raw materials:

3-methoxypyridine

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

3-methoxy-N-benzoyliminopyridinium ylide

N-(5-Methoxy-3,6-dihydro-2H-pyridin-1-yl)-benzamide