Dioctyl methylphosphonate

Base Information

• Chemical Name: Dioctyl methylphosphonate
• CAS No.: 1832-68-4
• Molecular Formula: C17H37O3P
• Molecular Weight: 320.4476
• DSSTox Substance ID: DTXSID30171398
• Nikkaji Number: J485.967G
• Wikidata: Q83041478
• Mol file: 1832-68-4.mol

Synonyms:DIOCTYL METHYLPHOSPHONATE;1832-68-4;Methylphosphonic acid, dioctyl ester;SCHEMBL6237188;DTXSID30171398;QNNWHJRQILFWHD-UHFFFAOYSA-N;Methylphosphonic acid dioctyl ester;Phosphonic acid, methyl-, dioctyl ester

Chemical Property of Dioctyl methylphosphonate

Chemical Property:

• Vapor Pressure: 4.42E-06mmHg at 25°C
• Boiling Point: 394.7°C at 760 mmHg
• Flash Point: 206°C
• PSA: 45.34000
• Density: 0.926g/cm³
• LogP: 6.56350
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 320.24803204
• Heavy Atom Count: 21
• Complexity: 234

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOP(=O)(C)OCCCCCCCC

Technology Process of Dioctyl methylphosphonate

There total 5 articles about Dioctyl methylphosphonate 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: 88.0%

octanol (111-87-5) + n-octyl methylphosphonic acid (1832-58-2) → Methyl-phosphonsaeure-dioctylester (1832-68-4)

Guidance literature:

With polymer supported sulfonated magnetic resin; In toluene; at 20 - 70 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2014.10.086

Reference yield:

octanol (111-87-5) + S,S-diethylmethyldithiophosphonate (995-88-0) → Methyl-phosphonsaeure-dioctylester (1832-68-4)

Guidance literature:

With sodium; at 180 - 200 ℃;

Reference yield:

C6H11N2(1+)*C9H20O3P(1-) + C2H6O3P(1-)*C13H25N2(1+) → Methyl-phosphonsaeure-dioctylester (1832-68-4) + methyl n-octyl methylphosphonate

Guidance literature:

at 160 ℃; under 750.075 Torr;

DOI:10.1039/c1cc14490a

upstream raw materials:

trioctyl phosphite

methyl iodide

octanol

S,S-diethylmethyldithiophosphonate

Refernces

• 1、 Sachnov, Swetlana J.,Schulz, Peter S.,Wasserscheid, Peter. "A convenient method to access long-chain and functionalised mixed methylphosphonate esters and their application in the synthesis of ionic liquids". supporting information; body text. p. 11234 - 11236. Retrieved 2011/12/05.