Phosphonic acid, octyl-, dimethyl ester

Base Information

• Chemical Name: Phosphonic acid, octyl-, dimethyl ester
• CAS No.: 6172-97-0
• Molecular Formula: C10H23O3P
• Molecular Weight: 222.265
• European Community (EC) Number: 612-368-5
• DSSTox Substance ID: DTXSID30450493
• Nikkaji Number: J1.879.815H
• Wikidata: Q82270244
• Mol file: 6172-97-0.mol

Synonyms:6172-97-0;Phosphonic acid, octyl-, dimethyl ester;DIMETHYL OCTYLPHOSPHONATE;dimethyloctylphosphonate;SCHEMBL588839;DTXSID30450493;octylphosphonic acid dimethyl ester;octyl-phosphonic acid dimethyl ester;MFCD30063027

Chemical Property of Phosphonic acid, octyl-, dimethyl ester

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 222.13848159
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, octyl-, dimethyl ester

There total 2 articles about Phosphonic acid, octyl-, dimethyl ester 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:

1-Iodooctane (629-27-6) + methyl phosphite (96-36-6,868-85-9) → octyl-phosphonic acid dimethyl ester (6172-97-0)

Guidance literature:

methyl phosphite; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

1-Iodooctane; In tetrahydrofuran; N,N-dimethyl-formamide; for 1h; Further stages.;

Reference yield:

methyl phosphite (96-36-6,868-85-9) + oct-1-ene (111-66-0,25068-25-1) → octyl-phosphonic acid dimethyl ester (6172-97-0)

Guidance literature:

With dibenzoyl peroxide;

Reference yield: 92.0%

octyl-phosphonic acid dimethyl ester (6172-97-0) → C9H20O3P(1-)*Na(1+)

Guidance literature:

With sodium iodide; In butanone; for 15h; Heating;

DOI:10.1080/10426500108040229

upstream raw materials:

methyl phosphite

oct-1-ene

1-Iodooctane

Downstream raw materials:

n-octylphosphonic acid

Octyl-P(O)Cl₂

1-(non-1-enyl)benzene

1-cyclohexyl-1(Z)-nonene

Refernces

• 1、 Martin,Beletskaya,Patrick,Jefferson,Winckler,Deutsch,Di Marzo,Dasse,Mahadevan,Razdan. "Cannabinoid properties of methylfluorophosphonate analogs". . p. 1209 - 1218. Retrieved 2008/01/27.