Phosphoric acid, diethyl propyl ester

Base Information

• Chemical Name: Phosphoric acid, diethyl propyl ester
• CAS No.: 814-22-2
• Molecular Formula: C7H17 O4 P
• Molecular Weight: 196.183
• DSSTox Substance ID: DTXSID00231079
• Nikkaji Number: J637.478F
• Wikidata: Q83111896
• Mol file: 814-22-2.mol

Synonyms:Diethyl propyl phosphate;814-22-2;Ethyl propyl phosphate;Phosphoric acid, diethyl propyl ester;Phosphoric acid,diethyl propyl ester;BRN 1706424;1-01-00-00179 (Beilstein Handbook Reference);Diethylpropylphosphate;SCHEMBL575634;C7H17O4P;DTXSID00231079;LS-107737

Chemical Property of Phosphoric acid, diethyl propyl ester

Chemical Property:

• Vapor Pressure: 0.099mmHg at 25°C
• Boiling Point: 230.6°C at 760 mmHg
• Flash Point: 107.4°C
• PSA: 54.57000
• Density: 1.047g/cm³
• LogP: 2.59410
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 196.08644602
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOP(=O)(OCC)OCC

Technology Process of Phosphoric acid, diethyl propyl ester

There total 8 articles about Phosphoric acid, diethyl propyl 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: 95.0%

propan-1-ol (71-23-8) + phosphonic acid diethyl ester (762-04-9) → diethyl n-propyl phosphate (814-22-2)

Guidance literature:

With water; dihydrogen peroxide; iodine; In neat (no solvent); at 20 ℃;

DOI:10.1021/ol402956b

Reference yield:

propan-1-ol (71-23-8) + O,O-diethyl S-methyl phosphorothioate (2404-05-9) → methanesulfonic acid (75-75-2,98527-29-8) + diethyl n-propyl phosphate (814-22-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

Reference yield:

propan-1-ol (71-23-8) + O,O-diethyl (2,4-dinitrophenyl) phosphate triester (54436-53-2) → diethyl n-propyl phosphate (814-22-2)

Guidance literature:

With commercial MgO; In aq. phosphate buffer; ethanol; at 80 ℃; pH=9; Kinetics; Inert atmosphere;

DOI:10.1039/c9ta14028j

upstream raw materials:

propan-1-ol

diethyl prop-2-enyl phosphite

phosphonic acid diethyl ester

O,O-diethyl S-methyl phosphorothioate

Refernces

• 1、 Almerindo, Gizelle I.,Buratto, Suelen C.,Caramori, Giovanni F.,Fiedler, Haidi D.,Medeiros, Michelle,Micke, Gustavo A.,Nicolazi, Lucas M.,Nome, Faruk,Parreira, Renato L. T.,Sangaletti, Patrícia,Schneider, Felipe S. S.,Wanderlind, Eduardo H.. "Kinetics and adsorption calculations: insights into the MgO-catalyzed detoxification of simulants of organophosphorus biocides". . p. 19011 - 19021. Retrieved 2020/10/02.
• 2、 -. "Method for synthesis of organophosphorus compound by photo-induced iodine catalyzed Atherton-Todd reaction". Paragraph 0031. . Retrieved 2018/12/14.