Trimethyl 1,3,5-triazine-2,4,6-tricarboxylate

Base Information

• Chemical Name: Trimethyl 1,3,5-triazine-2,4,6-tricarboxylate
• CAS No.: 30863-34-4
• Molecular Formula: C9H9 N3 O6
• Molecular Weight: 255.187
• DSSTox Substance ID: DTXSID90275326
• Nikkaji Number: J1.615.218H
• Wikidata: Q82005084
• Mol file: 30863-34-4.mol

Synonyms:30863-34-4;trimethyl 1,3,5-triazine-2,4,6-tricarboxylate;SCHEMBL18572717;DTXSID90275326;2,4,6-Tris(methoxycarbonyl)-1,3,5-triazine

Chemical Property of Trimethyl 1,3,5-triazine-2,4,6-tricarboxylate

Chemical Property:

• Vapor Pressure: 2.03E-07mmHg at 25°C
• Boiling Point: 424.7°C at 760 mmHg
• Flash Point: 210.6°C
• Density: 1.396g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 255.04913502
• Heavy Atom Count: 18
• Complexity: 283

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC(=NC(=N1)C(=O)OC)C(=O)OC

Technology Process of Trimethyl 1,3,5-triazine-2,4,6-tricarboxylate

There total 4 articles about Trimethyl 1,3,5-triazine-2,4,6-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: 35.0%

methanol (67-56-1) + triethyl 1,3,5-triazine-2,4,6-tricarboxylate (898-22-6) → 2,4,6-tris(methoxycarbonyl)-1,3,5-triazine (30863-34-4)

Guidance literature:

With toluene-4-sulfonic acid; Reflux;

DOI:10.1080/00397910902978031

Reference yield:

methanol (67-56-1) + 1,3,5-triazine-2,4,6-tricarbonyl trichloride (87145-65-1) → 2,4,6-tris(methoxycarbonyl)-1,3,5-triazine (30863-34-4)

Guidance literature:

DOI:10.1021/jo01118a017

Reference yield:

methyl iodide (74-88-4) → 2,4,6-tris(methoxycarbonyl)-1,3,5-triazine (30863-34-4)

Guidance literature:

With ethanol; at 100 ℃;

upstream raw materials:

methyl cyanoformate

methanol

1,3,5-triazine-2,4,6-tricarbonyl trichloride

methyl iodide

Refernces