Tris(4-ethylphenyl) phosphate

Base Information

• Chemical Name: Tris(4-ethylphenyl) phosphate
• CAS No.: 3820-69-7
• Molecular Formula: C24H27 O4 P
• Molecular Weight: 410.45
• Hs Code.: 2919900090
• European Community (EC) Number: 223-316-2
• UNII: A2SJ2GA43M
• DSSTox Substance ID: DTXSID60191584
• Nikkaji Number: J33.745E
• Wikidata: Q83064125
• Mol file: 3820-69-7.mol

Synonyms:Tris(4-ethylphenyl) phosphate;Tris(4-ethylphenyl)phosphate;3820-69-7;EINECS 223-316-2;A2SJ2GA43M;Phenol, 4-ethyl-, phosphate;ethylphenylphosphate;UNII-A2SJ2GA43M;SCHEMBL1413702;DTXSID60191584;Phenol, 4-ethyl-, phosphate (3:1);Phosphoric acid tris(p-ethylphenyl) ester

Chemical Property of Tris(4-ethylphenyl) phosphate

Chemical Property:

• Vapor Pressure: 1.2E-08mmHg at 25°C
• Boiling Point: 472.6°Cat760mmHg
• Flash Point: 252.8°C
• PSA: 54.57000
• Density: 1.151g/cm³
• LogP: 7.01870
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 410.16469634
• Heavy Atom Count: 29
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)CC)OC3=CC=C(C=C3)CC

Technology Process of Tris(4-ethylphenyl) phosphate

There total 3 articles about Tris(4-ethylphenyl) 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:

tris(4-ethylphenyl) phosphite (5127-81-1) → tris(4-ethylphenyl) phosphate (3820-69-7)

Guidance literature:

With dihydrogen peroxide; In dimethyl sulfoxide; toluene; at 20 ℃; for 0.5h; Schlenk technique;

DOI:10.1021/acs.orglett.1c01695

Reference yield:

4-Ethylphenol (123-07-9) → tris(4-ethylphenyl) phosphate (3820-69-7)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus; potassium phosphate; diphenyl diselenide / toluene; dimethyl sulfoxide / 4 h / 60 °C / Schlenk technique; Inert atmosphere

2: dihydrogen peroxide / toluene; dimethyl sulfoxide / 0.5 h / 20 °C / Schlenk technique

With potassium phosphate; diphenyl diselenide; phosphorus; dihydrogen peroxide; In dimethyl sulfoxide; toluene;

DOI:10.1021/acs.orglett.1c01695

Reference yield:

→ tris(4-ethylphenyl) phosphate (3820-69-7)

Guidance literature:

p-Ethylphenol, Phosphoroxychlorid, AlCl3;

upstream raw materials:

4-Ethylphenol

tris(4-ethylphenyl) phosphite