Triaziquone

Base Information

• Chemical Name: Triaziquone
• CAS No.: 68-76-8
• Deprecated CAS: 8059-32-3
• Molecular Formula: C12H13 N3 O2
• Molecular Weight: 231.254
• European Community (EC) Number: 200-692-6
• NSC Number: 29215
• UN Number: 3249
• UNII: F3D5D9P25I
• DSSTox Substance ID: DTXSID1021370
• Nikkaji Number: J2.368J
• Wikipedia: Triaziquone
• Wikidata: Q1323947
• NCI Thesaurus Code: C903
• Metabolomics Workbench ID: 144658
• ChEMBL ID: CHEMBL313302
• Mol file: 68-76-8.mol

Synonyms:2,3,5-Tris(ethyleneimine)benzoquinone;Trenimon;Triaziquone

Chemical Property of Triaziquone

Chemical Property:

• Vapor Pressure: 7.19E-06mmHg at 25°C
• Melting Point: 162.5-163°
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 376.5°C at 760 mmHg
• Flash Point: 175.1°C
• PSA: 43.17000
• Density: 1.727g/cm³
• LogP: -1.00580
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 494
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4
• Uses: Alkylating reagent in mutation research.
• Therapeutic Function: Antineoplastic

Technology Process of Triaziquone

There total 2 articles about Triaziquone 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:

ethyleneimine (151-56-4,9002-98-6) + 2,6-dimethoxy-p-quinone (530-55-2,26547-64-8) → 2,6-bis-aziridin-1-yl-hydroquinone (5677-51-0) + triaziquone (68-76-8)

Guidance literature:

With methanol;

Reference yield:

→ triaziquone (68-76-8)

Guidance literature:

2.6-Dimethoxy-benzo-1.4-chinon, Aziridin, Me., Luftausschluss; daneben andere Verbindungen;

upstream raw materials:

ethyleneimine

2,6-dimethoxy-p-quinone