4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 70059-80-2
• Molecular Formula: C23H16N4S
• Molecular Weight: 380.473
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20368598
• Wikidata: Q82155266
• Mol file: 70059-80-2.mol

Synonyms:4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol;70059-80-2;4-phenyl-3-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-thione;C23H16N4S;DTXSID20368598;AKOS005198841;CS-0220959;EN300-07982;Z56964590

Chemical Property of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 8.43E-13mmHg at 25°C
• Boiling Point: 565.3°Cat760mmHg
• Flash Point: 295.7°C
• PSA: 82.40000
• Density: 1.29g/cm³
• LogP: 5.43820
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 380.10956770
• Heavy Atom Count: 28
• Complexity: 593

Purity/Quality:

98.5% ^*data from raw suppliers

4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C5=CC=CC=C5

Technology Process of 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol

There total 4 articles about 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol 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: 60.0%

2-phenylquinoline-4-carboxylic acid hydrazide (4779-54-8) + phenyl isothiocyanate (103-72-0) → 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (70059-80-2)

Guidance literature:

2-phenylquinoline-4-carboxylic acid hydrazide; phenyl isothiocyanate; In ethanol; for 4h; Reflux;

With sodium hydroxide; for 3h; Reflux;

DOI:10.1016/j.ejmech.2019.111885

Reference yield:

cinchophen (132-60-5) → 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (70059-80-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid / 10 h / Reflux

2.1: hydrazine hydrate / ethanol / Reflux

3.1: ethanol / 4 h / Reflux

3.2: 3 h / Reflux

With sulfuric acid; hydrazine hydrate; In ethanol;

DOI:10.1016/j.ejmech.2019.111885

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 4-phenyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (70059-80-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium hydroxide / ethanol / Reflux

2.1: sulfuric acid / 10 h / Reflux

3.1: hydrazine hydrate / ethanol / Reflux

4.1: ethanol / 4 h / Reflux

4.2: 3 h / Reflux

With sulfuric acid; hydrazine hydrate; potassium hydroxide; In ethanol;

DOI:10.1016/j.ejmech.2019.111885

upstream raw materials:

2-phenylquinoline-4-carboxylic acid hydrazide

phenyl isothiocyanate

cinchophen

indole-2,3-dione