N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide

Base Information

• Chemical Name: N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide
• CAS No.: 1333146-24-9
• Molecular Formula: C₃₀H₃₀F₃N₅O
• Molecular Weight: 533.596
• Mol file: 1333146-24-9.mol

Synonyms:N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide

Chemical Property of N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide

Chemical Property:

• Boiling Point: 739.2±60.0 °C(Predicted)
• PKA: 16.02±0.46(Predicted)
• Density: 1.27±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

ILK-IN-2(CPD22:OSU-T315analog) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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Technology Process of N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide

There total 7 articles about N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide 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: 58.0%

3-(1-(4-aminophenyl)-5-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)-1H-pyrazol-3-yl)-N-methylpropanamide (1333147-03-7) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide (1333146-24-9)

Guidance literature:

In xylene; at 170 ℃; for 20h;

Reference yield:

(Z)-ethyl 4-hydroxy-6-oxo-6-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)hex-4-enoate (1333146-98-7) → N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide (1333146-24-9)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene-4-sulfonic acid / ethanol / 0.17 h / Microwave irradiation

2: ethanol / 16 h / 120 °C / Sealed tube

3: palladium on activated charcoal; hydrogen / methanol; ethyl acetate / 12 h / 3620.13 Torr

4: 5,5-dimethyl-1,3-cyclohexadiene / 20 h / 170 °C

With palladium on activated charcoal; hydrogen; toluene-4-sulfonic acid; In methanol; 5,5-dimethyl-1,3-cyclohexadiene; ethanol; ethyl acetate;

DOI:10.1021/jm2007744

Reference yield:

ethyl 3-(1-(4-nitrophenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanoate (1333146-99-8) → N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide (1333146-24-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 16 h / 120 °C / Sealed tube

2: palladium on activated charcoal; hydrogen / methanol; ethyl acetate / 12 h / 3620.13 Torr

3: 5,5-dimethyl-1,3-cyclohexadiene / 20 h / 170 °C

With palladium on activated charcoal; hydrogen; In methanol; 5,5-dimethyl-1,3-cyclohexadiene; ethanol; ethyl acetate;

DOI:10.1021/jm2007744

upstream raw materials:

(Z)-ethyl 4-hydroxy-6-oxo-6-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)hex-4-enoate

ethyl 3-(1-(4-nitrophenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanoate

N-methyl-3-(1-(4-nitrophenyl)-5-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1H-pyrazol-3-yl)propanamide

3-(1-(4-aminophenyl)-5-(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)-1H-pyrazol-3-yl)-N-methylpropanamide

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