trimethyl isocyanurate

Base Information

• Chemical Name: trimethyl isocyanurate
• CAS No.: 827-16-7
• Molecular Formula: C6H9 N3 O3
• Molecular Weight: 171.156
• Hs Code.: 2933699090
• Mol file: 827-16-7.mol

Synonyms:s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-trimethyl- (8CI); s-Triazine-2,4,6(1H,3H,5H)-trione, trimethyl- (6CI,7CI);1,3,5-Trimethyl-2,4,6-trioxohexahydro-s-triazine;1,3,5-Trimethyl-s-triazine-2,4,6(1H,3H,5H)-trione; Isocyanuric acid, trimethylester; Methyl isocyanate trimer; N,N,N-Trimethyltriazole-2,4,6-trione;N,N',N''-Trimethylisocyanuric acid; NSC 9322; Trimethyl isocyanurate

Chemical Property of trimethyl isocyanurate

Chemical Property:

• Vapor Pressure: 0.00555mmHg at 25°C
• Melting Point: 176.5°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 274°C at 760 mmHg
• PKA: -2.13±0.20(Predicted)
• Flash Point: 122.4°C
• PSA: 66.00000
• Density: 1.325g/cm³
• LogP: -2.21730
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

Trimethyl-1,3,5-triazinane-2,4,6-trione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: The crystal structure of Trimethyl-1,3,5-triazinane-2,4,6-trione has been reported previously to have low accurancy and without H-atom position, this compound in its molecular complex with 1,3,5-trinitrobenzene has been used in the construction of suprmolecular networks stabilized by hydrogen bonds.

Technology Process of trimethyl isocyanurate

There total 9 articles about trimethyl isocyanurate 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: 99.0%

1-n-butyl-3,4-dimethyl-2,5-dihydro-1H-phosphole (68563-74-6) + methyl isocyanate (624-83-9) → 1,3,5-trimethyltriazine-2,4,6-trione (827-16-7) + 2-n-butyl-1,4-dimethyl-1,4,2-diazaphospholidin-3,5-dione (1173091-14-9) + 2,3-dimethyl-buta-1,3-diene (513-81-5)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1002/chem.200900039

Reference yield: 75.0%

3-methylaminopyrazine-2-carbonitrile (63352-06-7) + methyl isocyanate (624-83-9) → 1,3,5-trimethyltriazine-2,4,6-trione (827-16-7) + 1,3-dimethyl-4-iminopteridin-2-one (108175-66-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 19h; Ambient temperature;

DOI:10.1002/jhet.5570230508

Reference yield: 51.0%

2-benz-(E)-ylidenehydrazinecarboxylic acid ethyl ester (16208-36-9) + methyl isocyanate (624-83-9) → 1,3,5-trimethyltriazine-2,4,6-trione (827-16-7) + 1,3-Dimethyl-5-{[1-phenyl-meth-(E)-ylidene]-amino}-[1,3,5]triazinane-2,4,6-trione

Guidance literature:

With triethylamine; for 0.5h; Heating;

DOI:10.1002/jhet.5570350146

upstream raw materials:

1,3,5-trimethyl-1,3,5-triazacyclohexane

1,3,5-trimethyl-biuret

N-Methylurea

3-methylaminopyrazine-2-carbonitrile

Downstream raw materials:

6-hydroxy-1,3,5-trimethyl-6-phenyl-[1,3,5]triazinane-2,4-dione

methylamine

acetone

trimethylamine

Refernces

• 1、 -. "Process for making dialkyl carbonates". Page/Page column 10. . Retrieved 2008/06/13.
• 2、 D'Silva, Themistocles D. J.,Lopes, Anibal. "Studies of Reactions of 1,3,5-Trimethylbiuret and 1,3-Dimethylurea with Chloroform". . p. 795 - 796. Retrieved 2007/10/02.