FLUCONAZOLE IMPURITY C

Base Information

• Chemical Name: FLUCONAZOLE IMPURITY C
• CAS No.: 514222-44-7
• Molecular Formula: C10H8N6
• Molecular Weight: 212.214
• Hs Code.: 2933997500
• Mol file: 514222-44-7.mol

Synonyms:FLUCONAZOLE IMPURITY C;1,1'-(1,3-Phenylene)bis-1H-1,2,4-triazole;Fluconazole Related Compound C;1,1'-(1,3-phenylene)di-1H-1,2,4-triazole;fluconazole related substance EP C;fluconazole related substance USP C

Chemical Property of FLUCONAZOLE IMPURITY C

Chemical Property:

• Boiling Point: 485.7±55.0 °C(Predicted)
• PKA: 2.15±0.11(Predicted)
• PSA: 61.42000
• Density: 1.42
• LogP: 0.84800
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)

Purity/Quality:

99%, ^*data from raw suppliers

1,1''-(1,3-Phenylene)bis-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Fluconazole (F421000) impurity. 1,1''-(1,3-Phenylene)bis-1H-1,2,4-triazole (Fluconazole EP Impurity C) is a Fluconazole (F421000) impurity.

Technology Process of FLUCONAZOLE IMPURITY C

There total 2 articles about FLUCONAZOLE IMPURITY C 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: 83.0%

1,2,4-Triazole (288-88-0) + 1,3-dibromobenzene (108-36-1) → 1,3-bis(1′,2′,4′-triazol-1′-yl)benzene (514222-44-7)

Guidance literature:

With copper(II) oxide; potassium carbonate; In dimethyl sulfoxide; at 150 ℃; for 48h;

DOI:10.1039/c3dt32862g

Reference yield: 79.0%

1,2,3-triazole (288-36-8) + 1,3-dibromobenzene (108-36-1) → 1,3-bis(1′,2′,4′-triazol-1′-yl)benzene (514222-44-7)

Guidance literature:

With copper(l) iodide; N,N-dimethyl-ethanamine; potassium carbonate; In dimethyl sulfoxide; at 150 ℃; for 36h; Inert atmosphere;

DOI:10.1016/j.poly.2017.11.019

Reference yield: 82.0%

1-iodo-butane (542-69-8) + 1,3-bis(1′,2′,4′-triazol-1′-yl)benzene (514222-44-7) → 1,3-bis(4′-butyl-1′,2′,4′-triazolium-1′-yl)benzene diiodide

Guidance literature:

In acetonitrile; at 140 ℃; for 18h; Autoclave;

DOI:10.1039/c3dt32862g

upstream raw materials:

1,2,4-Triazole

1,3-dibromobenzene

1,2,3-triazole

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