s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester

Base Information

• Chemical Name: s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester
• CAS No.: 80197-25-7
• Molecular Formula: C₁₂H₁₈N₆O₆
• Molecular Weight: 342.312
• DSSTox Substance ID: DTXSID80230146
• Nikkaji Number: J92.289G
• Wikidata: Q83110553
• Mol file: 80197-25-7.mol

Synonyms:BRN 5157222;s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester;Carbamic acid, methyl-, (2,4,6-s-triazinylidyne)trimethylene ester;Tris(N-methylcarbamic ester)-2,4,6-tris(hydroxymethyl)-1,3,5-triazine;80197-25-7;DTXSID80230146;C12H18N6O6;AKOS001699579;C12-H18-N6-O6;LS-155580;1,3,5-Triazine-2,4,6-trimethanol tris(N-methylcarbamate);[4,6-bis({[(methylamino)carbonyl]oxy}methyl)-1,3,5-triazin-2-yl]methyl methylcarbamate

Chemical Property of s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.347g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 342.12878232
• Heavy Atom Count: 24
• Complexity: 362

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(=O)OCC1=NC(=NC(=N1)COC(=O)NC)COC(=O)NC

Technology Process of s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester

There total 1 articles about s-Triazine-2,4,6-trimethanol, tris(methylcarbamate) ester 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: 91.0%

2,4,6-Tris(hydroxymethyl)1,3,5-triazine (35045-13-7) + methyl isocyanate (624-83-9) → Tris(N-methylcarbamic ester)2,4,6-tris(hydroxymethyl)1,3,5-triazine (80197-25-7)

Guidance literature:

With tin(IV) 2-ethylhexanoate; In pyridine; 1.) room temp., 4 d, 2.) 45 deg C, 1 h;

DOI:10.1007/BF00758534

upstream raw materials:

2,4,6-Tris(hydroxymethyl)1,3,5-triazine

methyl isocyanate