1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide

Base Information

• Chemical Name: 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide
• CAS No.: 121745-82-2
• Molecular Formula: C13H10N4O
• Molecular Weight: 238.249
• DSSTox Substance ID: DTXSID70420695
• Wikidata: Q82232001
• Mol file: 121745-82-2.mol

Synonyms:1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide;121745-82-2;N-Phenyl-1,2,4-benzotriazin-3-amine 1-oxide;SCHEMBL6680537;DTXSID70420695;HBKCCWGTHWGRMZ-UHFFFAOYSA-N;AKOS004909496

Chemical Property of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 238.08546096
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NC3=CC=CC=C3[N+](=N2)[O-]

Technology Process of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide

There total 10 articles about 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide 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: 49.0%

3-chloro-1,2,4-benzotriazine 1-oxide (67692-91-5) + aniline (62-53-3) → N-phenyl-1,2,4-benzotriazin-3-amine 1-oxide (121745-82-2)

Guidance literature:

With hydrogenchloride; In 1,2-dimethoxyethane; for 16h; Heating;

DOI:10.1021/jm049549p

Reference yield: 49.0%

3-chloro-1,2,4-benzotriazine 1-oxide (67692-91-5) → N-phenyl-1,2,4-benzotriazin-3-amine 1-oxide (121745-82-2)

Guidance literature:

With aniline; In 1,2-dimethoxyethane;

Reference yield:

3-hydroxybenzo[e][1,2,4]triazine-1-oxide (27446-08-8) → N-phenyl-1,2,4-benzotriazin-3-amine 1-oxide (121745-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / POCl₃ / 0.5 h / Heating

2: ethanol / 20 °C

With trichlorophosphate; In ethanol;

DOI:10.1002/ardp.200600201

upstream raw materials:

N-(2-nitro-phenyl)-N'-phenyl-guanidine

3-chloro-1,2,4-benzotriazine 1-oxide

aniline

3-hydroxybenzo[e][1,2,4]triazine-1-oxide