1,2,3-Benzotriazine

Base Information

• Chemical Name: 1,2,3-Benzotriazine
• CAS No.: 253-83-8
• Molecular Formula: C7H5N3
• Molecular Weight: 131.137
• DSSTox Substance ID: DTXSID80235393
• Nikkaji Number: J1.138.319J
• Wikidata: Q27117912
• Metabolomics Workbench ID: 55921
• Mol file: 253-83-8.mol

Synonyms:1,2,3-benzotriazine;Benzotriazine;86089-80-7;SCHEMBL8363;253-83-8;CHEBI:38586;DTXSID80235393;AKOS006372501;Q27117912

Chemical Property of 1,2,3-Benzotriazine

Chemical Property:

• PSA: 38.67000
• LogP: 1.02480
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.048347172
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NN=N2

Technology Process of 1,2,3-Benzotriazine

There total 2 articles about 1,2,3-Benzotriazine 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:

1H-indazol-1-amine (33334-08-6) → 1,2,3-benzotriazine (253-83-8)

Guidance literature:

With lead(IV) acetate;

DOI:10.1248/cpb.46.332

Reference yield:

→ 1,2,3-benzotriazine (253-83-8)

Guidance literature:

DOI:10.1039/C29710000828

Reference yield: 50.0%

1-(1-pyrrolidinyl)-1-(4-methoxyphenyl)ethene (73031-42-2) + 1,2,3-benzotriazine (253-83-8) → 2-(4-methoxyphenyl)quinoline (16032-40-9)

Guidance literature:

With zinc dibromide; In chloroform; at 90 - 100 ℃; for 2h;

DOI:10.1248/cpb.47.1038

upstream raw materials:

1H-indazol-1-amine

Downstream raw materials:

2,3-dihydro-1H-cyclopenta[b]quinoline

1,2,3,4-tetrahydroacridine

2-ethyl-3-methylquinoline

2-n-Propylquinoline

Refernces

• 1、 -. "Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments". . . Retrieved 2008/06/13.