Guaiacol phosphate

Base Information

• Chemical Name: Guaiacol phosphate
• CAS No.: 563-03-1
• Molecular Formula: C21H21 O7 P
• Molecular Weight: 416.367
• European Community (EC) Number: 209-240-2
• UNII: 56492O1F0U
• DSSTox Substance ID: DTXSID70204836
• Nikkaji Number: J188.425E
• Wikidata: Q27261370
• Mol file: 563-03-1.mol

Synonyms:Guaiacol phosphate;Tris(2-methoxyphenyl) phosphate;563-03-1;UNII-56492O1F0U;EINECS 209-240-2;56492O1F0U;SCHEMBL19809;Tris(2-methoxyphenyl)phosphate;GUAIACOL PHOSPHATE [MI];C21H21O7P;DTXSID70204836;CHEBI:135674;C21-H21-O7-P;AKOS003646408;Phosphoric acid tri(2-methoxyphenyl) ester;Phosphoric acid,tris(o-methoxyphenyl) ester;PHENOL, 2-METHOXY-, PHOSPHATE (3:1);PHENOL, O-METHOXY-, PHOSPHATE (3:1);PHENOL, 2-METHOXY-, 1,1',1''-PHOSPHATE;Q27261370

Chemical Property of Guaiacol phosphate

Chemical Property:

• Vapor Pressure: 1.57E-09mmHg at 25°C
• Melting Point: 91°
• Boiling Point: 497°Cat760mmHg
• Flash Point: 267.5°C
• PSA: 82.26000
• Density: 1.262g/cm³
• LogP: 5.35730
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 416.10249000
• Heavy Atom Count: 29
• Complexity: 460

Purity/Quality:

99% ^*data from raw suppliers

GUAIACOL PHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2OC)OC3=CC=CC=C3OC

Technology Process of Guaiacol phosphate

There total 6 articles about Guaiacol 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: 93.0%

2-methoxy-phenol (90-05-1) → tris(2-methoxyphenyl) phosphate (563-03-1)

Guidance literature:

With magnesium sulfate; triethylamine; trichlorophosphate; In tetrahydrofuran; at 60 ℃; for 19.5h; Inert atmosphere;

Reference yield:

tris(2-methoxyphenyl) phosphite (36370-75-9) → tris(2-methoxyphenyl) phosphate (563-03-1)

Guidance literature:

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

DOI:10.1021/acs.orglett.1c01695

Reference yield:

2-methoxy-phenol (90-05-1) → tris(2-methoxyphenyl) phosphate (563-03-1)

Guidance literature:

With trichlorophosphate; at 190 - 200 ℃;

upstream raw materials:

2-methoxy-phenol

sodium 2-methoxyphenolate

phosphorus pentachloride

benzene

Downstream raw materials:

phosphoric acid bis-(2-methoxy-phenyl ester)

nocodazole

Refernces

• 1、 -. "NOVEL COMPOUND AND RESIN COMPOSITION CONTAINING THE SAME". Paragraph 0023; 0055; 0056; 0057; 0058; 0059. . Retrieved 2014/11/11.