Tribenzyl isocyanurate

Base Information

• Chemical Name: Tribenzyl isocyanurate
• CAS No.: 606-03-1
• Molecular Formula: C24H21 N3 O3
• Molecular Weight: 399.449
• European Community (EC) Number: 210-102-9
• UNII: AZR3535V8J
• DSSTox Substance ID: DTXSID4074851
• Nikkaji Number: J95.776C
• Wikidata: Q82002992
• Mol file: 606-03-1.mol

Synonyms:TRIBENZYL ISOCYANURATE;606-03-1;AZR3535V8J;1,3,5-Tribenzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;EINECS 210-102-9;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(phenylmethyl)-;C24H21N3O3;Benzyl isocyanurate;1,3,5-tribenzyl-1,3,5-triazinane-2,4,6-trione;UNII-AZR3535V8J;SCHEMBL8985073;DTXSID4074851;1,3,5-TRIS(PHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE

Chemical Property of Tribenzyl isocyanurate

Chemical Property:

• Vapor Pressure: 3.32E-14mmHg at 25°C
• Boiling Point: 596.8°C at 760 mmHg
• Flash Point: 267.4°C
• PSA: 66.00000
• Density: 1.313g/cm³
• LogP: 2.31660
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 399.15829154
• Heavy Atom Count: 30
• Complexity: 510

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of Tribenzyl isocyanurate

There total 22 articles about Tribenzyl 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: 92.0%

→ 1,3,5-tribenzyl-[1,3,5]triazinane-2,4,6-trione (606-03-1)

Guidance literature:

With ethanol; sodium hydride; In N,N-dimethyl acetamide; at 100 ℃; for 12h;

Reference yield: 51.0%

{Pd(styrene)(PMe3)2} (126009-36-7) + benzyl isothiocyanate (3173-56-6) → [Pd(PMe3){C(O)N(benzyl)C(O)N(benzyl)}]4 + 1,3,5-tribenzyl-[1,3,5]triazinane-2,4,6-trione (606-03-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5dt00534e

Reference yield: 40.0%

Pd(styrene)(PMe2Ph)2 (137515-74-3) + benzyl isothiocyanate (3173-56-6) → [Pd(PMe2Ph){C(O)N(benzyl)C(O)N(benzyl)}]4 + 1,3,5-tribenzyl-[1,3,5]triazinane-2,4,6-trione (606-03-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5dt00534e

upstream raw materials:

1,3,5-trichloro-2,4,6-triazine

benzyl alcohol

2,4,6-tris(benzyloxy)-1,3,5-triazine

silver cyanate

Downstream raw materials:

methylammonium carbonate

benzylamine

1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione

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