1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)-

Base Information

• Chemical Name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)-
• CAS No.: 3420-84-6
• Molecular Formula: C21H12Cl3N3O3
• Molecular Weight: 460.704
• DSSTox Substance ID: DTXSID00482701
• Nikkaji Number: J2.920.482I
• Wikidata: Q82319312

Synonyms:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)-;3420-84-6;SCHEMBL9623886;DTXSID00482701;1,3,5-tri(3-chlorophenyl)isocyanurate

Chemical Property of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)-

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 458.994424
• Heavy Atom Count: 30
• Complexity: 579

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)N2C(=O)N(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl

Technology Process of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)-

There total 4 articles about 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chlorophenyl)- 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%

m-chlorophenyl isocyanate (2909-38-8) → 1,3,5-tris(3-chlorophenyl)-1,3,5-triazinane-2,4,6-trione (3420-84-6)

Guidance literature:

With [Pr(SPh)3(THF)3]; In tetrahydrofuran; at 60 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2010.12.069

Reference yield: 76.0%

3,5-bis(m-chlorophenyl)-2,2-dimethyl-1,2λ4,3,5-oxathiadiazine-4,6(3H,5H)-dione (88571-29-3) → 1,3,5-tris(3-chlorophenyl)-1,3,5-triazinane-2,4,6-trione (3420-84-6)

Guidance literature:

With hydrogenchloride; at 25 ℃; for 15h;

Reference yield:

vinylcaprolactam (2235-00-9,25189-83-7) + m-chlorophenyl isocyanate (2909-38-8) → C15H17ClN2O2 (1312291-88-5) + 1,3,5-tris(3-chlorophenyl)-1,3,5-triazinane-2,4,6-trione (3420-84-6)

Guidance literature:

With triethylamine; In toluene; at 70 ℃; for 70h; Inert atmosphere; Sealed ampule;

DOI:10.1134/S0022476611010240

upstream raw materials:

m-chlorophenyl isocyanate

3,5-bis(m-chlorophenyl)-2,2-dimethyl-1,2λ⁴,3,5-oxathiadiazine-4,6(3H,5H)-dione

vinylcaprolactam

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