3-(4-Nitrophenyl)-1,2,4-triazine

Base Information

• Chemical Name: 3-(4-Nitrophenyl)-1,2,4-triazine
• CAS No.: 57446-74-9
• Molecular Formula: C9H6N4O2
• Molecular Weight: 202.172
• DSSTox Substance ID: DTXSID20481498
• Nikkaji Number: J1.879.996K
• Mol file: 57446-74-9.mol

Synonyms:3-(4-Nitrophenyl)-1,2,4-triazine;57446-74-9;1,2,4-Triazine, 3-(4-nitrophenyl)-;4-nitrophenyl 1,2,4-triazine;DTXSID20481498;AKOS001892293

Chemical Property of 3-(4-Nitrophenyl)-1,2,4-triazine

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 202.04907545
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC=CN=N2)[N+](=O)[O-]

Technology Process of 3-(4-Nitrophenyl)-1,2,4-triazine

There total 3 articles about 3-(4-Nitrophenyl)-1,2,4-triazine 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: 85.0%

Glyoxal (131543-46-9,107-22-2) + 4-nitrobenzamidine hydrochloride (15723-90-7) → 3-(4-nitrophenyl)-1,2,4-triazine (57446-74-9)

Guidance literature:

4-nitrobenzamidine hydrochloride; With hydrazine; In methanol; at -10 ℃; for 4h;

Glyoxal; With triethylamine; In methanol; at 20 ℃; for 24h;

DOI:10.1002/hlca.200590120

Reference yield: 79.0%

4-nitrophenylboronic acid (24067-17-2) + 3-methylthio-1,2,4-triazine (28735-21-9) → 3-(4-nitrophenyl)-1,2,4-triazine (57446-74-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(I) methyl salicylate; In tetrahydrofuran; at 20 - 55 ℃; for 24h; Inert atmosphere;

DOI:10.1002/ejoc.201100116

Reference yield: 70.0%

2,3-dihydroxy-1,4-dioxane (4845-50-5) + p-nitrobenzamidrazone (81945-84-8) → 3-(4-nitrophenyl)-1,2,4-triazine (57446-74-9)

Guidance literature:

In ethanol; at 20 ℃; for 3h;

DOI:10.1007/BF00663866

upstream raw materials:

2,3-dihydroxy-1,4-dioxane

p-nitrobenzamidrazone

Glyoxal

4-nitrobenzamidine hydrochloride

Downstream raw materials:

4-[1,2,4]Triazin-3-yl-phenylamine