Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)

Base Information

• Chemical Name: Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)
• CAS No.: 13106-53-1
• Deprecated CAS: 27841-62-9
• Molecular Formula: C22H42ClNO
• Molecular Weight: 372.03
• DSSTox Substance ID: DTXSID50884574
• Mol file: 13106-53-1.mol

Synonyms:13106-53-1;Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1);Cetyl-gamma-picolinium chloride;1-hexadecyl-4-methylpyridin-1-ium;chloride;Pyridinium, 1-hexadecyl-4-methyl-, chloride;1-N-HEXADECYL-4-METHYLPYRIDINIUM CHLORIDE HYDRATE;1-Hexadecyl-4-methylpyridinium Chloride;1-hexadecyl-4-methylpyridin-1-ium chloride;SCHEMBL330599;DTXSID50884574;AKOS037646312;AS-68078;H0967;J-005930

Chemical Property of Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)

Chemical Property:

• Melting Point: 75-76.5 °C
• PSA: 13.11000
• LogP: 3.70350
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 353.2849280
• Heavy Atom Count: 24
• Complexity: 230

Purity/Quality:

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

1-Hexadecyl-4-methylpyridin-1-iumChlorideHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)

There total 4 articles about Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1) 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%

picoline (108-89-4) + 1-Chlorohexadecan (4860-03-1) → 1-hexadecyl-4-methyl pyridinium chloride (13106-53-1)

Guidance literature:

for 12h; Heating;

Reference yield:

(1-Hexadecyl-4-pyridiniomethyl)phosphonate (133216-97-4) → 1-hexadecyl-4-methyl pyridinium chloride (13106-53-1)

Guidance literature:

With sodium hydroxide; In water; Ambient temperature; Irradiation;

DOI:10.1246/bcsj.63.3053

Reference yield:

1-iodohexadecane (544-77-4) → 1-hexadecyl-4-methyl pyridinium chloride (13106-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / Ambient temperature

2: 1M NaOH / H₂O / Ambient temperature; Irradiation

With sodium hydroxide; In water; acetonitrile;

DOI:10.1246/bcsj.63.3053

upstream raw materials:

picoline

1-Chlorohexadecan

(1-Hexadecyl-4-pyridiniomethyl)phosphonate

1-iodohexadecane

Downstream raw materials:

4-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-1-hexadecyl-pyridinium; chloride

Refernces

• 1、 Okamoto, Yoshiki,Hosoda, Asao,Takamuku, Setsuo. "Surface-active properties and their photochemical behaviors of H (1-Alkyl-4-pyridiniomethyl)phosphonates". . p. 3053 - 3055. Retrieved 2007/10/02.