1-Octylpyridinium chloride

Base Information

• Chemical Name: 1-Octylpyridinium chloride
• CAS No.: 4086-73-1
• Molecular Formula: C13H22ClN
• Molecular Weight: 227.777
• Hs Code.: 2933399090
• European Community (EC) Number: 223-818-1
• DSSTox Substance ID: DTXSID90961272
• ChEMBL ID: CHEMBL3222014
• Mol file: 4086-73-1.mol

Synonyms:4086-73-1;1-Octylpyridinium chloride;1-octylpyridin-1-ium chloride;N-OCTYLPYRIDINIUM CHLORIDE;n-octylpyridiniumchloride;1-octylpyridin-1-ium;chloride;Pyridinium, 1-octyl-, chloride;EINECS 223-818-1;1-Octyl-pyridinium;octylpyridinium chloride;1-octylpyridin-1-iumchloride;SCHEMBL329731;CHEMBL3222014;DTXSID90961272;MFCD08458952;AKOS028108509;BS-16770;CS-0160286

Chemical Property of 1-Octylpyridinium chloride

Chemical Property:

• Melting Point: 118-121 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: 0.33860
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 227.1440774
• Heavy Atom Count: 15
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-OCTYLPYRIDINIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC[N+]1=CC=CC=C1.[Cl-]

Technology Process of 1-Octylpyridinium chloride

There total 3 articles about 1-Octylpyridinium 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%

pyridine (110-86-1) + n-chlorooctane (111-85-3) → N-octylpyridinium chloride (4086-73-1)

Guidance literature:

at 120 - 180 ℃; for 0.666667h; microwave irradiation;

DOI:10.3390/molecules13010149

Reference yield:

pyridine (110-86-1) + n-octanoic acid chloride (111-64-8) → 4-n-octylpyridine (40089-91-6) + N-octylpyridinium chloride (4086-73-1)

Guidance literature:

Erhitzen des Reaktionsprodukts mit Zink-Pulver und Octansaeure;

Reference yield:

→ N-octylpyridinium chloride (4086-73-1)

Guidance literature:

Py., Octylchlorid in A. <50 h 100grad im Rohr>;

upstream raw materials:

pyridine

n-chlorooctane

n-octanoic acid chloride

Downstream raw materials:

1-octylpyridinium bis(trifluoromethylsulfonyl)imide

di-tert-butyl dicarbonate

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.
• 2、 Ceron, Miguel A.,Guzman-Lucero, Diego J.,Palomeque, Jorge F.,Martinez-Palou, Rafael. "Parallel microwave-assisted synthesis of ionic liquids and screening for denitrogenation of straight-run diesel feed by liquid-liquid extraction". experimental part. p. 427 - 432. Retrieved 2012/07/01.