Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate

Base Information

• Chemical Name: Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate
• CAS No.: 7176-19-4
• Molecular Formula: C18H18 O9
• Molecular Weight: 378.336
• European Community (EC) Number: 230-536-2
• DSSTox Substance ID: DTXSID80992398
• Nikkaji Number: J227.428K
• Mol file: 7176-19-4.mol

Synonyms:7176-19-4;Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate;tris(oxiran-2-ylmethyl) benzene-1,3,5-tricarboxylate;tris(oxiran-2-ylmethyl)benzene-1,3,5-tricarboxylate;EINECS 230-536-2;SCHEMBL6951367;DTXSID80992398;C18H18O9;W15896;Tris[(oxiran-2-yl)methyl] benzene-1,3,5-tricarboxylate;1,3,5-Benzenetricarboxylic acid tris(oxiranylmethyl) ester

Chemical Property of Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate

Chemical Property:

• Vapor Pressure: 1.27E-11mmHg at 25°C
• Boiling Point: 537.5°C at 760 mmHg
• Flash Point: 237.6°C
• PSA: 116.49000
• Density: 1.432g/cm³
• LogP: 0.35340
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 378.09508215
• Heavy Atom Count: 27
• Complexity: 499

Purity/Quality:

99%, ^*data from raw suppliers

Tris(oxiran-2-ylmethyl)benzene-1,3,5-tricarboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)COC(=O)C2=CC(=CC(=C2)C(=O)OCC3CO3)C(=O)OCC4CO4

Technology Process of Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate

There total 4 articles about Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate 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: 43.0%

1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) + oxiranyl-methanol (556-52-5) → 1,3,5-triglycidyl benzenetricarboxylate (7176-19-4)

Guidance literature:

With tridodecylmethylammonium chloride; In hexane; toluene; at 69 ℃; for 3h;

DOI:10.1021/acscatal.7b03303

Reference yield:

triallyl benzene-1,3,5-tricarboxylate (17832-16-5) → 1,3,5-triglycidyl benzenetricarboxylate (7176-19-4) + C18H18O8

Guidance literature:

With sodium tungstate; tetrabutylammomium bromide; dihydrogen peroxide; In water; at 60 ℃; for 18h; pH=2.5;

Reference yield:

benzene-1,3,5-tricarboxylic acid (554-95-0) → 1,3,5-triglycidyl benzenetricarboxylate (7176-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / 1,2-dichloro-ethane / 3 h / 60 - 65 °C

2: sodium tungstate; tetrabutylammomium bromide; dihydrogen peroxide / water / 18 h / 60 °C / pH 2.5

With sodium tungstate; tetrabutylammomium bromide; dihydrogen peroxide; triethylamine; In water; 1,2-dichloro-ethane;

upstream raw materials:

triallyl benzene-1,3,5-tricarboxylate

benzene-1,3,5-tricarboxylic acid

1,3,5-tris-(methoxycarbonyl)benzene

oxiranyl-methanol

Refernces

• 1、 -. "METHOD FOR PRODUCING CURING AGENT OF COATING AND ITS APPLICATION ON COATING". Paragraph 0027; 0028; 0029. . Retrieved 2017/12/27.