4-(2-Nitrophenyl)-2H-1,2,3-triazole

Base Information

• Chemical Name: 4-(2-Nitrophenyl)-2H-1,2,3-triazole
• CAS No.: 89236-89-5
• Molecular Formula: C8H6N4O2
• Molecular Weight: 190.161
• DSSTox Substance ID: DTXSID90539399
• Nikkaji Number: J3.574.419C
• Wikidata: Q82415133

Synonyms:89236-89-5;4-(2-Nitrophenyl)-2H-1,2,3-triazole;SCHEMBL1260156;DTXSID90539399

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

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.04907545
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NNN=C2)[N+](=O)[O-]

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

There total 8 articles about 4-(2-Nitrophenyl)-2H-1,2,3-triazole 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: 96.0%

2-ethynyl-1-nitrobenzene (16433-96-8) → 4-(2-nitrophenyl)-1H-1,2,3-triazole (89236-89-5)

Guidance literature:

With sodium azide; In water; at 100 ℃; regioselective reaction; Green chemistry;

DOI:10.1002/cctc.201801524

Reference yield: 92.0%

nitromethane (75-52-5) + 2-nitro-benzaldehyde (552-89-6) → 4-(2-nitrophenyl)-1H-1,2,3-triazole (89236-89-5)

Guidance literature:

With sodium azide; at 100 ℃; for 1.5h;

DOI:10.1002/aoc.6298

Reference yield: 90.0%

1-nitro-2-(2-nitrovinyl)benzene (5670-66-6,5670-67-7,3156-39-6) → 4-(2-nitrophenyl)-1H-1,2,3-triazole (89236-89-5)

Guidance literature:

With sodium azide; In water; regioselective reaction; Heating; Green chemistry;

DOI:10.1002/cctc.201801524

upstream raw materials:

5-phenyl-1H-1,2,3-triazole

phenylacetylene

2,2-dimethyl-propionic acid 4-(2-nitro-phenyl)-[1,2,3]triazol-1-ylmethyl ester

2-ethynyl-1-nitrobenzene

Downstream raw materials:

4-(1H-1,2,3-triazol-4-yl)-aniline

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