Phosphonic acid, allyl-, dibutyl ester

Base Information

• Chemical Name: Phosphonic acid, allyl-, dibutyl ester
• CAS No.: 4762-64-5
• Molecular Formula: C₁₁H₂₃O₃P
• Molecular Weight: 234.276
• DSSTox Substance ID: DTXSID60197223
• Nikkaji Number: J80.897K
• Wikidata: Q83070160
• Mol file: 4762-64-5.mol

Synonyms:Dibutyl allylphosphonate;Phosphonic acid, allyl-, dibutyl ester;BRN 1784262;2-Propene-1-phosphonic acid, dibutyl ester;4762-64-5;Phosphonic acid, 2-propenyl-, dibutyl ester;4-04-00-03572 (Beilstein Handbook Reference);di-n-butyl allylphosphonate;SCHEMBL776772;C11H23O3P;DTXSID60197223;Allylphosphonic acid dibutyl ester;C11-H23-O3-P;dibutyl (prop-2-en-1-yl)phosphonate;LS-106411

Chemical Property of Phosphonic acid, allyl-, dibutyl ester

Chemical Property:

• Vapor Pressure: 0.00248mmHg at 25°C
• Boiling Point: 296.8°C at 760 mmHg
• Flash Point: 147.2°C
• Density: 0.967g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 234.13848159
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOP(=O)(CC=C)OCCCC

Technology Process of Phosphonic acid, allyl-, dibutyl ester

There total 8 articles about Phosphonic acid, allyl-, 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: 65.0%

dibutyl hydrogen phosphite (1809-19-4) + Allyl acetate (591-87-7) → allyl phophonate de dibutyl (4762-64-5)

Guidance literature:

With BAS; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In tetrahydrofuran; for 36h; Heating;

DOI:10.1055/s-1986-31704

Reference yield: 23.8%

dibutyl hydrogen phosphite (1809-19-4) + 1,2-propanediene (463-49-0) → allyl phophonate de dibutyl (4762-64-5)

Guidance literature:

With di-tert-butyl peroxide; at 135 - 145 ℃; for 2h; autoclave;

Reference yield:

Allylphosphonigsaeure-dibutylester (42017-41-4) → allyl phophonate de dibutyl (4762-64-5)

Guidance literature:

With manganese(IV) oxide; In Petroleum ether; Ambient temperature;

upstream raw materials:

Allylphosphonigsaeure-dibutylester

tri-n-butyl phosphite

allyl bromide

dibutyl hydrogen phosphite

Downstream raw materials:

dibutyl γ-phenylallylphosphonate

2,3-Epoxy-propyl-phosphonsaeure-dibutylester