Diethyl phenyl phosphate

Base Information

• Chemical Name: Diethyl phenyl phosphate
• CAS No.: 2510-86-3
• Molecular Formula: C10H15 O4 P
• Molecular Weight: 230.2
• Hs Code.: 2919900090
• NSC Number: 171165
• DSSTox Substance ID: DTXSID60179786
• Nikkaji Number: J371.879D
• Wikidata: Q27106406
• Metabolomics Workbench ID: 67662
• ChEMBL ID: CHEMBL296745
• Mol file: 2510-86-3.mol

Synonyms:DIETHYL PHENYL PHOSPHATE;2510-86-3;Phosphoric acid, diethyl phenyl ester;CHEMBL296745;CHEBI:4524;Phosphoric acid phenyldiethyl ester;NSC 171165;Phosphoric acid diethyl ester phenyl ester;AI3-19536;Phosphoric acid, diethyl phenyl ester (8CI)(9CI);AC1L29OT;Diethyl phenyl phosphate #;SureCN133234;SCHEMBL133234;C10H15O4P;DTXSID60179786;Phosphoric acid diethyl phenyl ester;BDBM50127647;NSC171165;NSC-171165;Q27106406

Chemical Property of Diethyl phenyl phosphate

Chemical Property:

• Vapor Pressure: 0.0157mmHg at 25°C
• Boiling Point: 264.7°C at 760 mmHg
• Flash Point: 127.9°C
• PSA: 54.57000
• Density: 1.151g/cm³
• LogP: 3.24650
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 230.07079595
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=CC=CC=C1

Technology Process of Diethyl phenyl phosphate

There total 41 articles about Diethyl phenyl phosphate 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: 95.0%

diethyl chlorophosphate (814-49-3) + phenol (108-95-2,27073-41-2) → O,O-diethyl O-phenyl phosphate (2510-86-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1055/s-0032-1317344 DOI:10.1055/s-0032-1317344

Reference yield: 95.0%

phosphonic acid diethyl ester (762-04-9) + phenol (108-95-2,27073-41-2) → O,O-diethyl O-phenyl phosphate (2510-86-3)

Guidance literature:

With dmap; bis[3,5-bis(trifluoromethyl)diphenyl] diselenide; In acetonitrile; at 20 ℃; for 24h; Temperature; Catalytic behavior;

DOI:10.1021/acs.orglett.0c01858

Reference yield: 92.0%

triethyl phosphate (78-40-0) + phenol (108-95-2,27073-41-2) → O,O-diethyl O-phenyl phosphate (2510-86-3)

Guidance literature:

triethyl phosphate; With pyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 0.166667h;

phenol; In dichloromethane; at 20 ℃; for 0.5h; Reagent/catalyst; Concentration;

DOI:10.1021/acs.orglett.8b02073

upstream raw materials:

ethyl diphenyl phosphate

sodium ethanolate

phosphoric acid monophenyl ester

O-ethyl-N,N'-di-p-tolyl-isourea

Downstream raw materials:

trimethyl(phenyl)stannane

4-methoxylbiphenyl

ethyl phenyl hydrogen phosphate

diethyl phenylphosphonate

Refernces

• 1、 Keglevich, Gyoergy,Puskas, Reka Eszter,Gruen, Alajos,Csontos, Istvan. "Monitoring the phosphorylation of phenol with diethyl chlorophosphate in aqueous medium in the presence of sodium hydroxide by in situ fourier transform infrared spectroscopy". . p. 832 - 837. Retrieved 2010.
• 2、 Xu, Pan,Zhong, Zijian,Zhou, Aihua. "Electrochemical phosphorylation of arenols and anilines leading to organophosphates and phosphoramidates". supporting information. p. 5342 - 5347. Retrieved 2021/06/30.
• 3、 Ellaby, Rebecca J.,Clark, Ewan R.,Allen, Nyasha,Taylor, Faith R.,Ng, Kendrick K. L.,Dimitrovski, Milan,Chu, Dominique F.,Mulvihill, Daniel P.,Hiscock, Jennifer R.. "Identification of organophosphorus simulants for the development of next-generation detection technologies". . p. 2008 - 2014. Retrieved 2021/03/16.