Dibutyl phenylphosphonate

Base Information

• Chemical Name: Dibutyl phenylphosphonate
• CAS No.: 1024-34-6
• Molecular Formula: C14H23 O3 P
• Molecular Weight: 270.309
• Hs Code.: 2931900090
• NSC Number: 616244,62230
• UNII: QQ6GGE47DK
• DSSTox Substance ID: DTXSID70145038
• Nikkaji Number: J34.635G
• Wikidata: Q81977125
• Mol file: 1024-34-6.mol

Synonyms:dibutoxyphosphorylbenzene;Dibutyl phenylphosphonate;1024-34-6;Dibutoxyphenylphosphine oxide;Phenylphosphonic acid dibutyl ester;Phosphonic acid, phenyl-, dibutyl ester;NSC 62230;QQ6GGE47DK;BRN 2942181;phenyl-phosphonic acid dibutyl ester;NSC-62230;NSC616244;UNII-QQ6GGE47DK;Dibutyl P-phenylphosphonate;di-n-butyl phenylphosphonate;NCIOpen2_002607;WLN: 4OPO&R&O4;SCHEMBL777797;C14H23O3P;DTXSID70145038;NSC62230;MFCD00769285;AKOS037621492;NSC-616244;Phosphonic acid, P-phenyl-, dibutyl ester;LS-106742

Chemical Property of Dibutyl phenylphosphonate

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Refractive Index: 1.4820 (estimate)
• Boiling Point: 347.6°Cat760mmHg
• Flash Point: 177.7°C
• PSA: 45.34000
• Density: 1.04g/cm³
• LogP: 4.13840
• Water Solubility.: <0.2g/L(25 oC)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 270.13848159
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCOP(=O)(C1=CC=CC=C1)OCCCC

Technology Process of Dibutyl phenylphosphonate

There total 43 articles about Dibutyl phenylphosphonate 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: 97.0%

dibutyl hydrogen phosphite (1809-19-4) + 1-(benzoyl)piperidine-2,6-dione → di(n-butyl) phenylphosphonate (1024-34-6)

Guidance literature:

With palladium diacetate; triethylamine; 1,4-di(diphenylphosphino)-butane; In 1,4-dioxane; at 160 ℃; for 15h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201707102

Reference yield: 94.0%

dibutyl hydrogen phosphite (1809-19-4) + bromobenzene (108-86-1,52753-63-6) → di(n-butyl) phenylphosphonate (1024-34-6)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 90 ℃; for 2.5h;

DOI:10.1055/s-1981-29335

Reference yield: 93.0%

tri-n-butyl phosphite (102-85-2) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → di(n-butyl) phenylphosphonate (1024-34-6)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1246/cl.130116

upstream raw materials:

P,P-dichlorophenylphosphine oxide

butan-1-ol

dibutyl hydrogen phosphite

bromobenzene

Downstream raw materials:

O-Dibutyl-phenylphosphonothionat

2,4,6-tris(4-methoxyphenyl)-2,4,6-trisulfanylene-1,3,5,2,4,6-trioxatriphosphinane

butyl para-toluenesulfonate

Butyl-1-cyclopentenylphenylphosphonat