Pifexole

Base Information

• Chemical Name: Pifexole
• CAS No.: 27199-40-2
• Molecular Formula: C₁₃H₈ClN₃O
• Molecular Weight: 257.679
• Hs Code.: 2934999090
• Mol file: 27199-40-2.mol

Synonyms:Pyridine,4-[5-(o-chlorophenyl)-1,2,4-oxadiazol-3-yl]- (8CI);3-(4-Pyridyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole; NSC 305743; Pifexole; RJ 64;Udarnol

Chemical Property of Pifexole

Chemical Property:

• Vapor Pressure: 1.07E-07mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 445°Cat760mmHg
• Flash Point: 222.9°C
• PSA: 51.81000
• Density: 1.325g/cm³
• LogP: 3.45200
• Water Solubility.: 1.3g/L(37 oC)

Purity/Quality:

99% ^*data from raw suppliers

4-[5-(2-CHLOROPHENYL)-1,2,4-OXADIAZOL-3-YL]PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Pifexole

There total 3 articles about Pifexole 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:

Isonicotinsaeureamidoxim-o-chlorbenzoat (30063-80-0) → 5-(2-chlorophenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (27199-40-2)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1021/acscombsci.6b00103

Reference yield:

pyridine-4-carboxamidoxime (1594-57-6,849833-58-5) → 5-(2-chlorophenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (27199-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / N,N-dimethyl-formamide / 24 h / 20 °C

2: triethylamine / N,N-dimethyl-formamide / 3 h / 100 °C

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1021/acscombsci.6b00103

Reference yield:

→ 5-(2-chlorophenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (27199-40-2)

Guidance literature:

Isonicotinsaeureamidoxim, o-Chlor-Aethylbenzoat, Na-Aethylat;

upstream raw materials:

pyridine-4-carboxamidoxime

Isonicotinsaeureamidoxim-o-chlorbenzoat