1,2,6-Trimethylpyridinium

Base Information

• Chemical Name: 1,2,6-Trimethylpyridinium
• CAS No.: 33718-19-3
• Molecular Formula: C₈H₁₂N
• Molecular Weight: 122.19
• DSSTox Substance ID: DTXSID30274590
• Nikkaji Number: J259.820E
• Wikidata: Q82003977
• Mol file: 33718-19-3.mol

Synonyms:1,2,6-trimethylpyridinium;1,2,6-trimethylpyridin-1-ium;33718-19-3;Pyridinium, 1,2,6-trimethyl-;SCHEMBL1277062;DTXSID30274590;AC-907/25004824

Chemical Property of 1,2,6-Trimethylpyridinium

Chemical Property:

• PSA: 3.88000
• LogP: 1.12790
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 122.096974387
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

1,2,6-TRIMETHYLPYRIDINIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C(=CC=C1)C)C

Technology Process of 1,2,6-Trimethylpyridinium

There total 5 articles about 1,2,6-Trimethylpyridinium 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: 36.0%

2,6-dimethylpyridine (108-48-5) + K2[PtCl5CH3] → 1,2,6-trimethylpyridinium (33718-19-3)

Guidance literature:

In [⁽²⁾H₆]acetone; water-d2; at 22 ℃; for 2h; Kinetics;

DOI:10.1016/j.jorganchem.2018.10.020

Reference yield:

2,6-dimethylpyridine (108-48-5) + methyl p-toluene sulfonate (80-48-8) → 1,2,6-trimethylpyridinium (33718-19-3)

Guidance literature:

In water; acetonitrile; at 25 ℃; kinetic nitrogen isotope effect, k₁₄/k₁₅;

DOI:10.1021/ja00385a062

Reference yield:

2,6-dimethylpyridine (108-48-5) + methyl trifluoromethanesulfonate (333-27-7) → 1,2,6-trimethylpyridinium (33718-19-3)

Guidance literature:

In water; acetonitrile; at 25 ℃; kinetic nitrogen isotope effect, k₁₄/k₁₅;

DOI:10.1021/ja00385a062

upstream raw materials:

2,6-dimethylpyridine

methyl p-toluene sulfonate

methyl trifluoromethanesulfonate

methyl iodide

Refernces

• 1、 Kurz, Joseph L.,El-Nasr, Moheb M. Seif. "An Inverse Reactivity-Selectivity Relationship. Kinetic Nitrogen Isotope Effects on Methyl Transfer to Pyridines". . p. 5823 - 5824. Retrieved 2007/10/02.