1H-1,2,3-Triazolo[4,5-f]quinoline

Base Information

• Chemical Name: 1H-1,2,3-Triazolo[4,5-f]quinoline
• CAS No.: 233-62-5
• Molecular Formula: C₉H₆N₄
• Molecular Weight: 170.173
• DSSTox Substance ID: DTXSID50476039
• Nikkaji Number: J1.790.087K
• Wikidata: Q82306964
• Mol file: 233-62-5.mol

Synonyms:1H-1,2,3-Triazolo[4,5-f]quinoline;233-62-5;2H-triazolo[4,5-f]quinoline;AGN-PC-0NHJTE;DTXSID50476039;GPPOBWAAESAUSF-UHFFFAOYSA-N;1H-[1,2,3]triazolo[4,5-f]quinoline

Chemical Property of 1H-1,2,3-Triazolo[4,5-f]quinoline

Chemical Property:

• Melting Point: 260 °C
• Boiling Point: 490.1±18.0 °C(Predicted)
• PSA: 54.46000
• Density: 1.471±0.06 g/cm3(Predicted)
• LogP: 1.50610
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.059246208
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

1H-1,2,3-Triazolo[4,5-f]quinoline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC3=NNN=C23)N=C1

Technology Process of 1H-1,2,3-Triazolo[4,5-f]quinoline

There total 12 articles about 1H-1,2,3-Triazolo[4,5-f]quinoline 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%

ethyl 3H-[1,2,3]-triazolo[4,5-f]quinoline-3-carboxylate (486421-22-1) → triazolo<4,5-f>quinoline (233-62-5)

Guidance literature:

With sodium hydroxide; In water; for 1h; Heating;

DOI:10.1002/jhet.5570390405

Reference yield: 70.0%

5-aminobenzotriazole (3325-11-9) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-methyl-3H-triazolo<4,5-f>quinoline (233-62-5)

Guidance literature:

With arsenic pentoxide hydrate; sulfuric acid; at 150 - 160 ℃; for 6h;

DOI:10.3987/COM-98-S(H)34

Reference yield: 52.0%

9-Chloro-3H-[1,2,3]triazolo[4,5-f]quinoline (116940-57-9) → triazolo<4,5-f>quinoline (233-62-5)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In ethanol; under 900.07 Torr;

upstream raw materials:

5-aminobenzotriazole

glycerol

1H-benzotriazol-5-ylamine; hydrochloride

orthoarsenic acid

Downstream raw materials:

[1,2,3]triazolo[4,5-f]quinolin-2-yl-methanol