Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl ester

Base Information

• Chemical Name: Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl ester
• CAS No.: 17045-53-3
• Molecular Formula: C₂₁H₃₀O₄P₂
• Molecular Weight: 408.414
• DSSTox Substance ID: DTXSID70366928
• Wikidata: Q82152418
• Mol file: 17045-53-3.mol

Synonyms:Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl ester;[dibutoxyphosphorylmethyl(phenyl)phosphoryl]benzene;17045-53-3;DTXSID70366928;dibutyl diphenylphosphinylmethylphosphonate

Chemical Property of Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 408.16193343
• Heavy Atom Count: 27
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOP(=O)(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OCCCC

Technology Process of Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl ester

There total 4 articles about Phosphonic acid, [(diphenylphosphinyl)methyl]-, dibutyl 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: 75.0%

tri-n-butyl phosphite (102-85-2) + diphenyl(chloromethyl)phosphine oxide (1806-49-1) → dibutyl (diphenylphosphorylmethyl)phosphonate (17045-53-3)

Guidance literature:

at 190 - 210 ℃; for 2h;

DOI:10.1023/A:1015564225238

Reference yield:

chloro-diphenylphosphine (1079-66-9,74391-44-9) → dibutyl (diphenylphosphorylmethyl)phosphonate (17045-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / diethyl ether

2: 225 °C

With triethylamine; In diethyl ether;

DOI:10.1007/BF00905994

Reference yield:

Ethyl diphenylphosphinite (719-80-2) + chloromethyl-phosphonic acid dibutyl ester (3074-81-5) → dibutyl (diphenylphosphorylmethyl)phosphonate (17045-53-3)

Guidance literature:

at 225 ℃;

DOI:10.1007/BF00905994

upstream raw materials:

Ethyl diphenylphosphinite

chloromethyl-phosphonic acid dibutyl ester

tri-n-butyl phosphite

diphenyl(chloromethyl)phosphine oxide

Downstream raw materials:

Diphenylphosphinyl-methanphosphonsaeure