Benzyl diethyl phosphate

Base Information

• Chemical Name: Benzyl diethyl phosphate
• CAS No.: 884-90-2
• Molecular Formula: C11H17 O4 P
• Molecular Weight: 244.227
• Hs Code.: 2919900090
• NSC Number: 171149
• DSSTox Substance ID: DTXSID60305568
• Nikkaji Number: J70.240D
• Wikidata: Q82052231
• Mol file: 884-90-2.mol

Synonyms:benzyl diethyl phosphate;884-90-2;NSC171149;diethylbenzyl phosphate;diethyl benzyl phosphate;SCHEMBL743706;DTXSID60305568;OBXSGRKNCOCTTM-UHFFFAOYSA-N;NSC-171149

Chemical Property of Benzyl diethyl phosphate

Chemical Property:

• Vapor Pressure: 0.00064mmHg at 25°C
• Boiling Point: 319.3°C at 760 mmHg
• Flash Point: 160.7°C
• PSA: 54.57000
• Density: 1.135g/cm³
• LogP: 3.38430
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 244.08644602
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OCC1=CC=CC=C1

Technology Process of Benzyl diethyl phosphate

There total 17 articles about Benzyl diethyl 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: 97.0%

benzyl alcohol (100-51-6,185532-71-2) + (2-oxo-5,5-diphenyl-oxazolidin-3-yl)-phosphonic acid diethyl ester (681035-21-2) → benzyl diethyl phosphate (884-90-2)

Guidance literature:

benzyl alcohol; With n-butyllithium; In diethyl ether;

(2-oxo-5,5-diphenyl-oxazolidin-3-yl)-phosphonic acid diethyl ester; In diethyl ether; dichloromethane; Further stages.;

DOI:10.1016/j.tetlet.2004.01.003

Reference yield: 94.0%

diethyl chlorophosphate (814-49-3) + benzyl alcohol (100-51-6,185532-71-2) → benzyl diethyl phosphate (884-90-2)

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: 86.0%

phosphonic acid diethyl ester (762-04-9) + toluene (108-88-3,15644-74-3,16713-13-6) → benzyl diethyl phosphate (884-90-2)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; at 90 ℃; for 12h; Schlenk technique;

DOI:10.1002/adsc.201400436

upstream raw materials:

diethyl chlorophosphate

benzyl alcohol

phosphonic acid diethyl ester

1-(Diethoxyphosphinyl)imidazole

Downstream raw materials:

1-Chlor-3-methyl-1-phenyl-1-buten

benzyl methyl ether

1,2-Diphenylethanol

3-methyl-1-phenyl-2-butanol

Refernces

• 1、 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.
• 2、 Yurino, Taiga,Hachiya, Asuka,Suzuki, Keisuke,Ohkuma, Takeshi. "Selective Conversion of Benzylic Phosphates into Diarylmethanes Through Al(OTf)3-Catalyzed Friedel–Crafts-Type Benzylation". . p. 2225 - 2232. Retrieved 2020/04/16.