CID 537262

Base Information

• Chemical Name: CID 537262
• CAS No.: 140-72-7
• Molecular Formula: C21H38BrN
• Molecular Weight: 384.443
• Hs Code.: 29333999
• Mol file: 140-72-7.mol

Synonyms:

Chemical Property of CID 537262

Chemical Property:

• Appearance/Colour: white to cream coloured powder
• Melting Point: 63-69 °C
• PSA: 3.88000
• LogP: 3.45940
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Chloroform,Methanol,Acetone,Ethanol
• Water Solubility.: 5 g/L (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 383.21876
• Heavy Atom Count: 23
• Complexity: 214

Purity/Quality:

99%Min ^*data from raw suppliers

Hexadecylpyridinium Bromide Hydrate >96.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,Xi
• Hazard Codes: T+,Xi,Xn
• Statements: 22-26-36/37/38-20/21/22
• Safety Statements: 26-28-36/37-45-36/37/39-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]

Technology Process of CID 537262

There total 2 articles about CID 537262 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: 99.0%

pyridine (110-86-1) + hexadecanyl bromide (112-82-3) → cetylpyridinium bromide (140-72-7)

Guidance literature:

In ethanol; for 40h; Reflux;

DOI:10.3390/molecules15031967

Reference yield:

4-(4-Dimethylamino-phenylazo)-benzenesulfonate1-hexadecyl-pyridinium; → methyl orange (547-58-0) + cetylpyridinium bromide (140-72-7)

Guidance literature:

With sodium bromide; at 19.9 ℃; Equilibrium constant; var. temps.;

DOI:10.1246/bcsj.66.2457

Reference yield: 94.0%

N1-(2,6-diisopropylphenyl)benzene-1,2-diamine (1227099-72-0) + cetylpyridinium bromide (140-72-7) → 2-(dibenzo[b,d]furan-4-yl)-1-(2,6-diisopropylphenyl)-1H-benzo[d]imidazole (1447716-80-4)

Guidance literature:

In tetrahydrofuran; water;

upstream raw materials:

pyridine

hexadecanyl bromide

Downstream raw materials:

N-Hexadecylpyridinium p-toluenesulphonate

2-(dibenzo[b,d]furan-4-yl)-1-(2,6-diisopropylphenyl)-1H-benzo[d]imidazole

Refernces

• 1、 Jordan, Deborah,Tan, Eng,Hegh, Dylan. "Synthesis, characterization and conductivity of quaternary nitrogen surfactants modified by the addition of a hydroxymethyl substructure on the head group". . p. 587 - 592. Retrieved 2012/10/29.
• 2、 Aupoix, Audrey,Pégot, Bruce,Vo-Thanh, Giang. "Synthesis of imidazolium and pyridinium-based ionic liquids and application of 1-alkyl-3-methylimidazolium salts as pre-catalysts for the benzoin condensation using solvent-free and microwave activation". experimental part. p. 1352 - 1356. Retrieved 2010/04/02.