CID 537349

Base Information

• Chemical Name: CID 537349
• CAS No.: 104-74-5
• Molecular Formula: C17H30N^.Cl
• Molecular Weight: 283.885
• Hs Code.: 2933 39 99
• Mol file: 104-74-5.mol

Synonyms:SCHEMBL5532637

Chemical Property of CID 537349

Chemical Property:

• Vapor Pressure: 0-0.005Pa at 20-25℃
• Melting Point: 66-70oC
• Boiling Point: 63 °C
• Flash Point: 160°C
• PSA: 3.88000
• Density: 1.04 g/cm3 (20 °C)
• LogP: 1.89900
• Storage Temp.: Store below +30°C.
• Water Solubility.: 99.824-485.89g/L at 20-25℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 283.2066777
• Heavy Atom Count: 19
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

1-Dodecylpyridinium Chloride >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
• Uses: 1-Dodecylpyridinium Chloride is used in preparation and Fluorescence of Nitrogen-containing amphiphilic organic ion Manganese Halide luminescent material.

Technology Process of CID 537349

There total 6 articles about CID 537349 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: 65.0%

pyridine (110-86-1) + 1-chlorododecane (112-52-7) → N-dodecylpyridinium chloride (104-74-5)

Guidance literature:

at 140 ℃; for 20h;

DOI:10.3390/ijms22020563

Reference yield:

1-dodecyl alcohol (112-53-8) → N-dodecylpyridinium chloride (104-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; trichlorophosphate / dichloromethane / 1 h / 0 °C

2: 2-(Diethylamino)ethanol / 3 h / 0 - 20 °C

With pyridine; 2-(Diethylamino)ethanol; trichlorophosphate; In dichloromethane;

DOI:10.1055/s-0030-1260939

Reference yield:

pyridine (110-86-1) + dodecyl dichlorophosphate (77638-27-8) → N-dodecylpyridinium chloride (104-74-5)

Guidance literature:

With 2-(Diethylamino)ethanol; at 0 - 20 ℃; for 3h;

DOI:10.1055/s-0030-1260939

upstream raw materials:

pyridine

1-chlorododecane

1-dodecylpyridinium bromide

1-dodecylbromide

Downstream raw materials:

1-dodecylpyridinium cyclamate

1-dodecylpyridinium 3,6-dichloro-2-methoxybenzoate

1-dodecylpyridinium (4-chloro-2-methylphenoxy)acetate

di-tert-butyl dicarbonate

Refernces

• 1、 Bowlas, Christopher J.,Bruce, Duncan W.,Seddon, Kenneth R.. "Liquid-crystalline ionic liquids". . p. 1625 - 1626. Retrieved 1996.
• 2、 Rutz, Christina,Schmolke, Laura,Gvilava, Vasily,Janiak, Christoph. "Anion Analysis of Ionic Liquids and Ionic Liquid Purity Assessment by Ion Chromatography". . p. 130 - 135. Retrieved 2017.
• 3、 -. "AN IMPROVED PROCESS FOR PREPARATION OF QUATERNARY PYRIDINIUM SALTS". Page/Page column 11. . Retrieved 2019/08/08.