1-(4-Nitrophenyl)-5-phenyltriazole

Base Information

• Chemical Name: 1-(4-Nitrophenyl)-5-phenyltriazole
• CAS No.: 1225-76-9
• Molecular Formula: C₁₄H₁₀N₄O₂
• Molecular Weight: 266.259
• DSSTox Substance ID: DTXSID601319898
• Nikkaji Number: J2.748.577D
• ChEMBL ID: CHEMBL1489915

Synonyms:1-(4-nitrophenyl)-5-phenyltriazole;CBMicro_035007;Oprea1_322014;Oprea1_833632;1-(4-Nitrophenyl)-5-phenyl-1H-1,2,3-triazole;MLS001207317;1-(4-Nitro-phenyl)-5-phenyl-1H-[1,2,3]triazole;CHEMBL1489915;DTXSID601319898;HMS2824P21;AKOS000677960;SMR000515773;BIM-0034920.P001;SR-01000399309;SR-01000399309-1;Z56757873;1225-76-9

Chemical Property of 1-(4-Nitrophenyl)-5-phenyltriazole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.08037557
• Heavy Atom Count: 20
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)-5-phenyltriazole

There total 11 articles about 1-(4-Nitrophenyl)-5-phenyltriazole 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: 98.0%

1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid (1236-33-5) → 1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole (1225-76-9)

Guidance literature:

In N,N-dimethyl-formamide; for 0.5h; Heating;

Reference yield: 80.0%

iodobenzene (591-50-4) + 1-(4-nitrophenyl)-1H-1,2,3-triazole (1204-91-7) → 1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole (1225-76-9)

Guidance literature:

With C₁₈H₁₆N₂O₄Pd; caesium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 16h; regioselective reaction;

DOI:10.1080/00397911.2017.1381260

Reference yield: 80.0%

4-nitrophenyl azide (1516-60-5) + Cinnamic acid (621-82-9) → 1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole (1225-76-9)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); ascorbic acid; In N,N-dimethyl-formamide; at 115 ℃; for 16h; under 760.051 Torr; Solvent; Reagent/catalyst; regioselective reaction; Catalytic behavior;

DOI:10.1039/c7cc09934g

upstream raw materials:

1-(4-nitrophenyl)-5-phenyl-Δ²-1,2,3-triazoline

1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid

4-nitrophenyl azide

phenylacetylene

Downstream raw materials:

1-(4-Aminophenyl)-5-phenyl-1,2,3-triazole

2-[4-(5-Phenyl-[1,2,3]triazol-1-yl)-phenoxy]-butyric acid

1-(4-Hydroxyphenyl)-5-phenyl-1,2,3-triazole

3-phenyl-5-(5-phenyl-1H-1,2,3-triazol-1-yl)-2,1-benzisoxazole

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