Diphenyl p-tolyl phosphate

Base Information

• Chemical Name: Diphenyl p-tolyl phosphate
• CAS No.: 78-31-9
• Molecular Formula: C19H17 O4 P
• Molecular Weight: 340.315
• European Community (EC) Number: 201-104-0
• UNII: X0UF1XXO1Q
• DSSTox Substance ID: DTXSID70274039
• Nikkaji Number: J192.567I
• Wikidata: Q27293237
• ChEMBL ID: CHEMBL3187626
• Mol file: 78-31-9.mol

Synonyms:Diphenyl p-tolyl phosphate;78-31-9;(4-methylphenyl) diphenyl phosphate;Diphenyl 4-tolyl phosphate;Phosphoric acid, 4-methylphenyl diphenyl ester;UNII-X0UF1XXO1Q;X0UF1XXO1Q;Phosphoric acid, diphenyl p-tolyl ester;p-Cresyl diphenyl phosphate.;HSDB 2558;P-CRESYL DIPHENYL PHOSPHATE;EINECS 201-104-0;C19H17O4P;C19-H17-O4-P;CDPhP;diphenyl-p-tolylphosphat;Diphenyl4-tolylphosphate;DSSTox_CID_4861;Monotolyl diphenyl phosphate;DSSTox_RID_77555;DSSTox_GSID_24861;SCHEMBL35597;CHEMBL3187626;DTXSID70274039;4-Methylphenyl diphenyl phosphate #;Tox21_202888;Phosphoric acid p-tolyldiphenyl ester;AKOS015899069;NCGC00260434-01;P-CRESYL DIPHENYL PHOSPHATE [HSDB];CAS-26444-49-5;FT-0638606;F88144;PHENYL P-TOLYL PHOSPHATE ((PHO)2(C7H7O)PO);Q27293237;Diphenyl o-cresol phosphate;(Diphenyl cresol phosphate)

Chemical Property of Diphenyl p-tolyl phosphate

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Melting Point: -39.9°C
• Boiling Point: 404.7°C at 760 mmHg
• Flash Point: 212.1°C
• PSA: 54.57000
• Density: 1.241g/cm³
• LogP: 5.63990
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 340.08644602
• Heavy Atom Count: 24
• Complexity: 384

Purity/Quality:

98%min ^*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: CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Technology Process of Diphenyl p-tolyl phosphate

There total 8 articles about Diphenyl p-tolyl 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%

p-cresol (106-44-5) + chlorophosphoric acid diphenyl ester (2524-64-3) → (4-methylphenyl) diphenyl phosphate (78-31-9)

Guidance literature:

With titanium tetrachloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/ol026618q

Reference yield: 92.0%

p-cresol (106-44-5) + diphenyl phosphoryl azide (26386-88-9) → (4-methylphenyl) diphenyl phosphate (78-31-9)

Guidance literature:

With sodium carbonate; zinc(II) acetylacetonate; In 1,4-dioxane; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1002/asia.202000154

Reference yield:

diphenyl hydrogen phosphate (838-85-7) + phenyl(p-tolyl)iodonium trifluoromethanesulfonate (120976-84-3) → phosphoric acid triphenyl ester (115-86-6) + (4-methylphenyl) diphenyl phosphate (78-31-9)

Guidance literature:

With triethylamine; In toluene; at 110 ℃; for 3h; Overall yield = 89 %; Inert atmosphere;

DOI:10.1021/cs501523g

upstream raw materials:

triphenyl phosphite

p-cresolate

Phosphoric acid 2,4-dinitro-phenyl ester diphenyl ester

p-cresol

Downstream raw materials:

4-Methylbiphenyl

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