1,4-Diphenyl-1h-1,2,3-triazole-5-carbaldehyde

Base Information

• Chemical Name: 1,4-Diphenyl-1h-1,2,3-triazole-5-carbaldehyde
• CAS No.: 75918-79-5
• Molecular Formula: C15H11N3O
• Molecular Weight: 249.2673
• NSC Number: 120978
• DSSTox Substance ID: DTXSID80298140
• Wikidata: Q82039771

Synonyms:75918-79-5;1,4-diphenyl-1h-1,2,3-triazole-5-carbaldehyde;NSC120978;DTXSID80298140;AKOS024363927;NSC-120978

Chemical Property of 1,4-Diphenyl-1h-1,2,3-triazole-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.12E-09mmHg at 25°C
• Boiling Point: 480.7°C at 760 mmHg
• Flash Point: 244.5°C
• Density: 1.2g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.090211983
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC=CC=C3)C=O

Technology Process of 1,4-Diphenyl-1h-1,2,3-triazole-5-carbaldehyde

There total 8 articles about 1,4-Diphenyl-1h-1,2,3-triazole-5-carbaldehyde 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: 58.5%

5-(bromomethyl)-1,4-diphenyl-1,2,3-triazole (75918-91-1) → 1,4-diphenyl-5-(hydroxymethyl)-1,2,3-triazole (15765-06-7) + 1,4-diphenyl-[1,2,3]-triazole (13148-78-2) + 3,5-diphenyl-3H-[1,2,3]triazole-4-carbaldehyde (75918-79-5)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 60 - 100 ℃; for 2h;

DOI:10.1021/jo00317a007

Reference yield: 22.0%

Phenylpropargyl aldehyde (2579-22-8) + Phenyl azide (622-37-7) → 1,5-diphenyl-1H-1,2,3-triazole-4-carbaldehyde (79866-78-7) + 3,5-diphenyl-3H-[1,2,3]triazole-4-carbaldehyde (75918-79-5)

Guidance literature:

In toluene; for 24h; Heating;

Reference yield: 16.0%

5-(Diazomethyl)-1,4-diphenyl-1,2,3-triazole (15764-89-3) → 3,5-diphenyl-3H-[1,2,3]triazole-4-carbaldehyde (75918-79-5) + 1,4-Diphenyl-1,2,3-triazole-5-carboxaldehyde azine (15764-93-9)

Guidance literature:

With tert-butylbenzene; In dichloromethane; for 5h; Heating;

DOI:10.1021/jo00170a025

upstream raw materials:

Phenylpropargyl aldehyde

Phenyl azide

5-(Diazomethyl)-1,4-diphenyl-1,2,3-triazole

5-(bromomethyl)-1,4-diphenyl-1,2,3-triazole

Downstream raw materials:

1,4-diphenyl-1H-1,2,3-triazole-5-carboxylic acid

1,4-diphenyl-[1,2,3]-triazole

[1-(3,5-Diphenyl-3H-[1,2,3]triazol-4-yl)-meth-(E)-ylidene]-phenyl-amine

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