5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine

Base Information

• Chemical Name: 5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine
• CAS No.: 1000787-75-6
• Molecular Formula: C25H14F7N5
• Molecular Weight: 517.408
• Mol file: 1000787-75-6.mol

Synonyms:GS 333126;GS 9190;Tegobuvir;

Chemical Property of 5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine

Chemical Property:

• Boiling Point: 558.0±60.0 °C(Predicted)
• PKA: 8.28±0.20(Predicted)
• PSA: 56.49000
• Density: 1.46
• LogP: 6.78030
• Solubility.: ≥24.95 mg/mL in DMSO; insoluble in H2O; ≥100 mg/mL in EtOH

Purity/Quality:

97% ^*data from raw suppliers

Tegobuvir(GS-9190;GS333126) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine

There total 7 articles about 5-((6-(2,4-bis(TrifluoroMethyl)phenyl)pyridazin-3-yl)Methyl)-2-(2-fluorophenyl)-5H-iMidazo[4,5-c]pyridine 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:

2,4-bis(trifluoromethyl)phenylboronic acid (153254-09-2) + C17H13ClFN5 → 5-((6-(2,4-bis(trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine (1000787-75-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 72h;

Reference yield:

2,4-bis(trifluoromethyl)phenylboronic acid (153254-09-2) + 5-[6-chloro-pyridazin-3-ylmethyl]-2-(2-fluoro-phenyl)-5H-imidazo[4,5-c]pyridine (1000787-76-7) → 5-((6-(2,4-bis(trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine (1000787-75-6)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 80 ℃; for 72h; Product distribution / selectivity;

Reference yield:

2,4-bis(trifluoromethyl)phenylboronic acid (153254-09-2) + aq. Na2CO3 → 5-((6-(2,4-bis(trifluoromethyl)phenyl)pyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine (1000787-75-6)

Guidance literature:

Pd(PPh₃)4; In methanol; 1,2-dimethoxyethane; dichloromethane;

upstream raw materials:

3-(2,4-bis-trifluoromethyl-phenyl)-6-chloromethyl-pyridazine

2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine

2,4-bis(trifluoromethyl)phenylboronic acid

5-[6-chloro-pyridazin-3-ylmethyl]-2-(2-fluoro-phenyl)-5H-imidazo[4,5-c]pyridine