1-Butyl-3-methylpyridinium Chloride

Base Information

• Chemical Name: 1-Butyl-3-methylpyridinium Chloride
• CAS No.: 125652-55-3
• Molecular Formula: C10H16N.Cl
• Molecular Weight: 185.697
• Hs Code.: 2933399990
• European Community (EC) Number: 679-563-5
• ChEMBL ID: CHEMBL3188912
• DSSTox Substance ID: DTXSID2049212
• Mol file: 125652-55-3.mol

Synonyms:1-Butyl-3-methylpyridinium Chloride;125652-55-3;3-METHYL-N-BUTYLPYRIDINIUM CHLORIDE;1-BUTYL-3-METHYLPYRIDIN-1-IUM CHLORIDE;Pyridinium, 1-butyl-3-methyl-, chloride (1:1);1-butyl-3-methylpyridin-1-ium;chloride;DTXSID2049212;MFCD08458942;N-butyl-3-metylpyridinium chloride;Pyridinium, 1-butyl-3-methyl-, chloride;1-butyl-3-methylpyridiniumchloride;SCHEMBL322540;CHEMBL3188912;DTXCID4029068;3-methyl-1-butylpyridinium chloride;Tox21_202681;AKOS006281840;CS-W016930;1-butyl-3-methylpyridin-1-ium,chloride;NCGC00260229-01;AS-66525;SY060043;B3425;CAS-125652-55-3;T70177;A890063;J-005254

Chemical Property of 1-Butyl-3-methylpyridinium Chloride

Chemical Property:

• PSA: 3.88000
• LogP: -0.91340
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 185.0971272
• Heavy Atom Count: 12
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

1-Butyl-3-methylpyridinium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CC=CC(=C1)C.[Cl-]

Technology Process of 1-Butyl-3-methylpyridinium Chloride

There total 2 articles about 1-Butyl-3-methylpyridinium 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: 93.0%

3-Methylpyridine (108-99-6) + n-Butyl chloride (109-69-3) → 1-butyl-3-methylimidazolium chloride (125652-55-3)

Guidance literature:

at 90 ℃; for 24h;

DOI:10.1039/c8cp01557k

Reference yield:

→ 1-butyl-3-methylimidazolium chloride (125652-55-3)

Guidance literature:

Reference yield: 87.0%

1-butyl-3-methylimidazolium chloride (125652-55-3) + sodium dicyanamide (1934-75-4) → 1-butyl-3-methylpyridinium dicyanoazanide (712355-12-9)

Guidance literature:

In water; at 20 ℃;

upstream raw materials:

3-Methylpyridine

n-Butyl chloride

Downstream raw materials:

1-butyl-3-methylpyridinium dicyanoazanide