N-Methylpyridinium

Base Information

• Chemical Name: N-Methylpyridinium
• CAS No.: 694-56-4
• Molecular Formula: C6H8 N
• Molecular Weight: 94.1362
• DSSTox Substance ID: DTXSID70989212
• Nikkaji Number: J238.086B
• Wikipedia: Methylpyridinium
• Wikidata: Q6824050
• Metabolomics Workbench ID: 50249
• ChEMBL ID: CHEMBL302326
• Mol file: 694-56-4.mol

Synonyms:1-methylpyridinium;1-methylpyridinium chloride;1-methylpyridinium dibromoiodate (1-);1-methylpyridinium iodide;1-methylpyridinium mu-iodotetraiododimercurate (1-);N-methylpyridinium

Chemical Property of N-Methylpyridinium

Chemical Property:

• PSA: 3.88000
• LogP: 0.51110
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 94.065674259
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=CC=C1

Technology Process of N-Methylpyridinium

There total 5 articles about N-Methylpyridinium 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:

phosphorochloridothioic acid,O,S-dimethyl ester (3711-50-0) → N-methylpyridinium (694-56-4) + methylene chloride (74-87-3) + CH3ClO2PS(1-) + C6H8NO2PS

Guidance literature:

With pyridine; for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(81)80012-3

Reference yield:

Dimethyl chlorophosphate (813-77-4) → N-methylpyridinium (694-56-4) + methylene chloride (74-87-3) + CH3ClO3P(1-) (51120-27-5) + C6H8NO3P (125212-90-0)

Guidance literature:

With pyridine; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(81)80012-3

Reference yield:

pyridine (110-86-1) + phosphorochloridothioic acid,O,S-dimethyl ester (3711-50-0) → N-methylpyridinium (694-56-4) + methylene chloride (74-87-3) + CH3ClO2PS(1-) + C6H8NO2PS

Guidance literature:

for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(81)80012-3

upstream raw materials:

pyridine

phosphorochloridothioic acid,O,S-dimethyl ester

Dimethyl chlorophosphate

1-(ethoxycarbonylmethyl)pyridinium chloride

Downstream raw materials:

1-methyl-2-pyridone

Refernces

• 1、 Asseline, U.,Thuong, N. T.. "NOUVELLE SYNTHESE SIMPLE DE NUCLEOSIDE PHOSPHOROTHIOLATE". . p. 847 - 850. Retrieved 2007/10/02.