Pyrophosphoric acid, tetrapropyl ester

Base Information

• Chemical Name: Pyrophosphoric acid, tetrapropyl ester
• CAS No.: 3583-94-6
• Molecular Formula: C12H28O7P2
• Molecular Weight: 346.298
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID20189366
• Nikkaji Number: J1.549.950H
• Wikidata: Q83061431
• Mol file: 3583-94-6.mol

Synonyms:Propyl pyrophosphate;Tetrapropyl pyrophosphate;Diphosphoric acid, tetrapropyl ester;Pyrophosphoric acid, tetrapropyl ester;BRN 1715465;3583-94-6;Diphosphoric acid, tetrapropyl ester (9CI);4-01-00-01429 (Beilstein Handbook Reference);tetra-n-propyl pyrophosphate;SCHEMBL2156671;DTXSID20189366;C12H28O7P2;C12-H28-O7-P2;Oxybis(phosphonic acid dipropyl) ester;LS-136502

Chemical Property of Pyrophosphoric acid, tetrapropyl ester

Chemical Property:

• Vapor Pressure: 0.00032mmHg at 25°C
• Boiling Point: 330.4°C at 760 mmHg
• Flash Point: 167.4°C
• PSA: 99.91000
• Density: 1.129g/cm³
• LogP: 4.92560
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 346.13102722
• Heavy Atom Count: 21
• Complexity: 293

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOP(=O)(OCCC)OP(=O)(OCCC)OCCC

Technology Process of Pyrophosphoric acid, tetrapropyl ester

There total 4 articles about Pyrophosphoric acid, tetrapropyl 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: 56.0%

dipropyl sodiophosphite (42414-50-6) → diphosphorus (III)-oic acid tetrapropyl ester (88351-47-7) + diphosphorus (III,V)-oic acid tetrapropyl ester (690-68-6) + diphosphoric acid tetrapropyl ester (3583-94-6) + sodium dipropyl phosphate (4545-54-4) + di-n-propyl phosphonate (1809-21-8)

Guidance literature:

With sodium perchlorate; In acetonitrile; Product distribution; Ambient temperature; object of study - electrochemical oxidation at platinum electrode;

Reference yield: 52.0%

propan-1-ol (71-23-8) → phosphoric acid tripropyl ester (513-08-6) + diphosphoric acid tetrapropyl ester (3583-94-6)

Guidance literature:

With tetraethylammonium iodide; water; In acetonitrile; at 52 ℃; electrosynthesis;

DOI:10.1007/BF00863576

Reference yield:

dipropyl phosphite (54722-86-0) → phosphoric acid tripropyl ester (513-08-6) + diphosphorus (III,V)-oic acid tetrapropyl ester (690-68-6) + hypophosphoric acid tetrapropyl ester (679-38-9) + diphosphoric acid tetrapropyl ester (3583-94-6)

Guidance literature:

With lithium bromide; In acetonitrile; Title compound not separated from byproducts; electrochemical oxidation, 2.4 A h; Pt anode, Ni cathode; Ag/AgNO₃ reference electrode;

upstream raw materials:

propan-1-ol

dipropyl sodiophosphite

dipropyl phosphite

Downstream raw materials:

C₆H₁₆O₇P₂*2C₄H₁₀N₂S

Refernces

• 1、 Romakhin,Zagumennov,Nikitin. "Electrochemical Oxidation of Metal Dialkyl Phosphites and Their Reaction with Halogens". . p. 1022 - 1026. Retrieved 2007/10/03.
• 2、 Romakhin, A. S.,Parakin, O. V.,Nikitin, E. V.,Ignat'ev, Yu. A.,Zagumennov, V. A.,Romanov, G. V.. "ELECTROCHEMICAL SYNTHESIS OF TETRAALKYL PYROPHOSPHITES". . p. 1960 - 1962. Retrieved 2007/10/02.