beta-Triglycidyl isocyanurate

Base Information

• Chemical Name: beta-Triglycidyl isocyanurate
• CAS No.: 59653-74-6
• Molecular Formula: C12H15 N3 O6
• Molecular Weight: 297.268
• European Community (EC) Number: 423-400-0,611-858-6,678-563-2
• UNII: 987C8AU5FW,BST1K2Z9WN
• DSSTox Substance ID: DTXSID801020203
• Nikkaji Number: J486.877C
• Wikidata: Q106636470
• Mol file: 59653-74-6.mol

Synonyms:(R,R,R)-Triglycidyl Isocyanurate;beta-Triglycidyl isocyanurate;59653-74-6;240408-78-0;(r,r,r)-triglycidylisocyanurate;BST1K2Z9WN;987C8AU5FW;1,3,5-tris[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione;Triglycidyl isocyanurate, (R,R,R)-;NSC 296964;s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-, beta-;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((2R)-2-oxiranylmethyl)-;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((2R)-oxiranylmethyl)-;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, beta-;3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(2R)-oxiranylmethyl]-, rel-1;BRN 0765833;NSC-296964;UNII-BST1K2Z9WN;SCHEMBL2097151;DTXSID801020203;beta-Triglycidyl isocyanurate, (+)-;.BETA.-TRIGLYCIDYL ISOCYANURATE;TRIGLYCIDYL ISOCYANURATE, .BETA.-;LS-155591;I0580;(R,R,R)-Tris(2,3-epoxypropyl) Isocyanurate;.BETA.-TRIGLYCIDYL ISOCYANURATE, (+)-;TRIGLYCIDYL ISOCYANURATE .BETA.-FORM [MI];Isocyanuric Acid (R,R,R)-Tris(2,3-epoxypropyl) Ester;tris({[(2R)-oxiran-2-yl]methyl})-1,3,5-triazinane-2,4,6-trione;1,3,5-Tris((R)-oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;(RS,RS,RS)-1,3,5-TRIS(2,3-EPOXYPROPYL)-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE;1,3,5-Tri[(oxiran-2alpha-yl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-TRIS((2R)-2-OXIRANYLMETHYL)-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE;1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((2R)-2-OXIRANYLMETHYL)-, REL-

Chemical Property of beta-Triglycidyl isocyanurate

Chemical Property:

• Vapor Pressure: 3.56E-10mmHg at 25°C
• Melting Point: 156℃
• Boiling Point: 501.1°C at 760 mmHg
• PKA: -2.44±0.20(Predicted)
• Flash Point: 256.9°C
• PSA: 103.59000
• Density: 1.625g/cm³
• LogP: -2.63190
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 297.09608521
• Heavy Atom Count: 21
• Complexity: 416

Purity/Quality:

99.9% ^*data from raw suppliers

β-TriglycidylIsocyanurate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 46-22-23-41-43-48/22
• Safety Statements: 53-45

MSDS Files:

Useful:

• Canonical SMILES: C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
• Isomeric SMILES: C1[C@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@@H]3CO3)C[C@@H]4CO4

Technology Process of beta-Triglycidyl isocyanurate

There total 2 articles about beta-Triglycidyl 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:

cyanuric acid (108-80-5,27026-93-3,27941-25-9) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → tris-(2,3-epoxypropyl)-isocyanurate (59653-74-6,28825-96-9,240408-78-0) + tris-(2,3-epoxypropyl)-isocyanurate (28825-96-9,240408-78-0)

Guidance literature:

With tetramethlyammonium chloride; In water; at 89 - 120 ℃; for 5h;

Reference yield:

carbamoyl azide (13125-56-9) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → tris-(2,3-epoxypropyl)-isocyanurate (59653-74-6,28825-96-9,240408-78-0) + tris-(2,3-epoxypropyl)-isocyanurate (28825-96-9,240408-78-0) + C7H10N4O3

Guidance literature:

With sodium hydroxide; tetraethylammonium chloride; Multistep reaction. Yields of byproduct given; 1) 60 deg C, 30 min, 70 deg C, 1.5 h, 80 deg C, 3.5 h; 2) 40 deg C, 1.5 h;

DOI:10.1007/BF01169353

upstream raw materials:

carbamoyl azide

epichlorohydrin

cyanuric acid

Refernces

• 1、 Korotkikh,Korotkikh. "Study of methods of preparation of 1,4-diglycidyltetrazolone. New synthesis of triglycidylisocyanurate". . p. 48 - 51. Retrieved 2007/10/03.