Methyl hydrogen octadecylphosphonate

Base Information

• Chemical Name: Methyl hydrogen octadecylphosphonate
• CAS No.: 25371-55-5
• Molecular Formula: C19H41 O3 P
• Molecular Weight: 348.506
• Hs Code.: 2931900090
• European Community (EC) Number: 246-905-6
• DSSTox Substance ID: DTXSID80180016
• Nikkaji Number: J250.442A
• Wikidata: Q83050518
• ChEMBL ID: CHEMBL58184
• Mol file: 25371-55-5.mol

Synonyms:Methyl hydrogen octadecylphosphonate;25371-55-5;EINECS 246-905-6;Octadecyl-phosphonic acid monomethyl ester;CHEMBL58184;SCHEMBL653716;C19H41O3P;DTXSID80180016;C19-H41-O3-P;Octadecylphosphonic acid hydrogen methyl ester

Chemical Property of Methyl hydrogen octadecylphosphonate

Chemical Property:

• Vapor Pressure: 5.21E-09mmHg at 25°C
• Melting Point: 65.5-66.5 °C(Solv: acetone (67-64-1))
• Boiling Point: 441°Cat760mmHg
• PKA: 2.98±0.10(Predicted)
• Flash Point: 220.5°C
• PSA: 56.34000
• Density: 0.941g/cm³
• LogP: 7.07970
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 348.27933216
• Heavy Atom Count: 23
• Complexity: 282

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCP(=O)(O)OC

Technology Process of Methyl hydrogen octadecylphosphonate

There total 6 articles about Methyl hydrogen octadecylphosphonate 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%

octadecylphosphonate de dimethyle (25371-54-4) → octadecyl-phosphonic acid monomethyl ester (25371-55-5)

Guidance literature:

With thiophenol; triethylamine; In tetrahydrofuran; for 20h; Ambient temperature;

DOI:10.1016/0960-894X(96)00350-2

Reference yield:

methyl sodium octadecylphosphonate → octadecyl-phosphonic acid monomethyl ester (25371-55-5)

Guidance literature:

With sulfuric acid; In propan-1-ol; n-heptane; water; pH=3 - 3.5;

Reference yield:

hexadecanphosphonic acid diethyl ester (16165-71-2) → octadecyl-phosphonic acid monomethyl ester (25371-55-5)

Guidance literature:

With sodium iodide; In butanone; at 90 ℃; for 16h;

DOI:10.1080/10426500210664

upstream raw materials:

n-octadecylphosphonic acid

octadecylphosphonate de dimethyle

hexadecanphosphonic acid diethyl ester

1-Hexadecene

Refernces

• 1、 Gaboyard,Hervaud,Boutevin. "Synthesis and structural study of long-chain hydrocarbon alkylphosphonic acids". . p. 877 - 891. Retrieved 2007/10/03.