4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline

Base Information

• Chemical Name: 4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline
• CAS No.: 1232431-71-8
• Molecular Formula: C₁₄H₁₂N₄
• Molecular Weight: 236.276
• DSSTox Substance ID: DTXSID70704649
• Wikidata: Q82637126

Synonyms:1232431-71-8;SCHEMBL11904310;DTXSID70704649;FT-0769567;4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline

Chemical Property of 4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.106196400
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)N

Technology Process of 4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline

There total 1 articles about 4-(1-Phenyl-1H-1,2,3-triazol-5-yl)aniline 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: 25.0%

4-Ethynylaniline (14235-81-5) + Phenyl azide (622-37-7) → 5-(4-aminophenyl)-1-phenyl-1H-[1,2,3]triazole (1232431-71-8)

Guidance literature:

In toluene; for 43h; Reflux;

DOI:10.1016/j.bmc.2011.11.041

Reference yield:

5-(4-aminophenyl)-1-phenyl-1H-[1,2,3]triazole (1232431-71-8) + benzyl 7-chlorocarbonyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate (1355356-58-9) → C29H18F12N4O3

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 5h; Inert atmosphere; Cooling with ice;

DOI:10.1016/j.bmc.2011.11.041

Reference yield:

5-(4-aminophenyl)-1-phenyl-1H-[1,2,3]triazole (1232431-71-8) + benzyl 7-chlorocarbonyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate (1355356-58-9) → C29H19F12N5O3

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Cooling with ice;

DOI:10.1016/j.bmcl.2017.02.050

upstream raw materials:

4-Ethynylaniline

Phenyl azide

Downstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid hydroxyamide [4-(1-phenyl-1H-[1,2,3]triazol-5-yl)phenyl]amide

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