2-Hydroxyethyldimethyloctadecylammonium bromide

Base Information

• Chemical Name: 2-Hydroxyethyldimethyloctadecylammonium bromide
• CAS No.: 15061-91-3
• Molecular Formula: C22H48NO.Br
• Molecular Weight: 422.533
• DSSTox Substance ID: DTXSID10443904
• ChEMBL ID: CHEMBL116707
• Mol file: 15061-91-3.mol

Synonyms:2-Hydroxyethyldimethyloctadecylammonium bromide;15061-91-3;SCHEMBL313594;CHEMBL116707;DTXSID10443904;N-(2-Hydroxyethyl)-N,N-dimethyl-N-octadecylammonium bromide

Chemical Property of 2-Hydroxyethyldimethyloctadecylammonium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 421.29193
• Heavy Atom Count: 25
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO.[Br-]

Technology Process of 2-Hydroxyethyldimethyloctadecylammonium bromide

There total 1 articles about 2-Hydroxyethyldimethyloctadecylammonium bromide 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:

N-(2-(benzoyloxy)ethyl)-N,N-dimethyl-n-octadecylammonium bromide → 2-hydroxyethyl(dimethyl)octadecylammonium bromide (15061-91-3) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With potassium phosphate buffer; microsomal fraction from male Wistar rat liver tissue; water; magnesium(II); at 37 ℃; Rate constant; also with microsomal fraction from kidney tissue; also with microsomal fractions from male Balb mice liver and kidney tissues;

DOI:10.1135/cccc19980245

Reference yield:

parathion-methyl (298-00-0) + 2-hydroxyethyl(dimethyl)octadecylammonium bromide (15061-91-3) → p-nitrophenolate (14609-74-6) + [2-(Dimethoxy-thiophosphoryloxy)-ethyl]-dimethyl-octadecyl-ammonium (135154-77-7)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; Mechanism; Kinetics;

DOI:10.1007/BF00958577

Downstream raw materials:

p-nitrophenolate

[2-(Dimethoxy-thiophosphoryloxy)-ethyl]-dimethyl-octadecyl-ammonium

Refernces