Tri(2,4,6-trimethylphenyl) phosphate

Base Information

• Chemical Name: Tri(2,4,6-trimethylphenyl) phosphate
• CAS No.: 56444-79-2
• Molecular Formula: C₂₇H₃₃O₄P
• Molecular Weight: 452.53
• DSSTox Substance ID: DTXSID90971871
• Nikkaji Number: J429.320G
• Wikidata: Q82955526
• Mol file: 56444-79-2.mol

Synonyms:56444-79-2;Tri(2,4,6-trimethylphenyl) phosphate;Phenol, 2,4,6-trimethyl-, phosphate (3:1);Phenol, 2,4,6-trimethyl-, 1,1',1''-phosphate;tris(2,4,6-trimethylphenyl) phosphate;SCHEMBL218680;DTXSID90971871;Phosphoric acid tris(2,4,6-trimethylphenyl) ester

Chemical Property of Tri(2,4,6-trimethylphenyl) phosphate

Chemical Property:

• Vapor Pressure: 6.79E-09mmHg at 25°C
• Boiling Point: 479.6°Cat760mmHg
• Flash Point: 257°C
• PSA: 54.57000
• Density: 1.119g/cm³
• LogP: 8.10710
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 452.21164653
• Heavy Atom Count: 32
• Complexity: 532

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C)C

Technology Process of Tri(2,4,6-trimethylphenyl) phosphate

There total 2 articles about Tri(2,4,6-trimethylphenyl) 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(2,4,6-trimethylphenyl)phosphite → trimesityl phosphate (56444-79-2)

Guidance literature:

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

DOI:10.1021/acs.orglett.1c01695

Reference yield:

Mesitol (527-60-6) → trimesityl phosphate (56444-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus; potassium phosphate; diphenyl diselenide / toluene; dimethyl sulfoxide / 6 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

upstream raw materials:

Mesitol

Refernces