1-Butyl-4-methylpyridinium chloride

Base Information

• Chemical Name: 1-Butyl-4-methylpyridinium chloride
• CAS No.: 112400-86-9
• Molecular Formula: C10H16 N . Cl
• Molecular Weight: 185.697
• Hs Code.: 29333990
• European Community (EC) Number: 627-899-8
• UNII: V4ZM1NC0YI
• DSSTox Substance ID: DTXSID3049205
• Wikidata: Q27291535
• ChEMBL ID: CHEMBL3186258
• Mol file: 112400-86-9.mol

Synonyms:1-Butyl-4-methylpyridinium chloride;112400-86-9;N-Butyl-4-methylpyridinium chloride;1-Butyl-4-picolinium chloride;1-butyl-4-methylpyridiniumchloride;UNII-V4ZM1NC0YI;V4ZM1NC0YI;1-butyl-4-methylpyridin-1-ium;chloride;Pyridinium, 1-butyl-4-methyl-, chloride;DTXSID3049205;Pyridinium, 1-butyl-4-methyl-, chloride (1:1);1-BUTYL-4-METHYLPYRIDIN-1-IUM CHLORIDE;N-butyl-4-metylpyridinium chloride;4MBPCl;SCHEMBL244803;CHEMBL3186258;DTXCID8028476;YTSDTJNDMGOTFN-UHFFFAOYSA-M;Tox21_202685;MFCD03095439;AKOS015833152;NCGC00260233-01;AS-16092;B3426;CAS-112400-86-9;FT-0690995;S11229;1-Butyl-4-methylpyridinium chloride, >=97.0%;A894592;Q27291535

Chemical Property of 1-Butyl-4-methylpyridinium chloride

Chemical Property:

• Melting Point: 158-160 °C
• PSA: 3.88000
• LogP: -0.91340
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 185.0971272
• Heavy Atom Count: 12
• Complexity: 93

Purity/Quality:

98% ^*data from raw suppliers

1-Butyl-4-methylpyridinium Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Butyl-4-methylpyridinium chloride

There total 2 articles about 1-Butyl-4-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: 39.0%

picoline (108-89-4) + n-Butyl chloride (109-69-3) → 1-n-butyl-4-methylpyridinium chloride (112400-86-9)

Guidance literature:

at 75 ℃; for 72h;

DOI:10.1016/j.molliq.2012.10.001

Reference yield:

→ 1-n-butyl-4-methylpyridinium chloride (112400-86-9)

Guidance literature:

Reference yield: 99.0%

1-n-butyl-4-methylpyridinium chloride (112400-86-9) → 4-methyl-N-butylpyridinium tetrafluoroborate (343952-33-0)

Guidance literature:

With tetrafluoroboric acid; In water; at 20 ℃; for 0.333333h;

upstream raw materials:

picoline

n-Butyl chloride

Downstream raw materials:

methylene chloride

1-butyl-4-methylpyridinium trifluoromethylsulfonate

4-methyl-N-butylpyridinium tetrafluoroborate

1-butyl-4-[2-(4-dimethylaminophenyl)ethenyl]pyridinium chloride

Refernces

• 1、 Och?dzan-Siod?ak, Wioletta,Dziubek, Katarzyna,Siod?ak, Dawid. "Densities and viscosities of imidazolium and pyridinium chloroaluminate ionic liquids". . p. 85 - 93. Retrieved 2013/03/13.