2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one

Base Information

• Chemical Name: 2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one
• CAS No.: 635324-72-0
• Molecular Formula: C21H13F4N5O
• Molecular Weight: 427.35
• Mol file: 635324-72-0.mol

Synonyms:2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one

Chemical Property of 2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one

Chemical Property:

• Boiling Point: 599.5±60.0 °C(Predicted)
• PKA: 5.76±0.20(Predicted)
• PSA: 68.50000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: 4.42540
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

CTLA-4inhibitor >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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Technology Process of 2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one

There total 8 articles about 2-(4-fluorophenyl)-6-methyl-4-(3-(trifluoromethyl)phenyl)-1,2-dihydrodipyrazolo[3,4-b:3',4'-d]pyridin-3(6H)-one 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:

ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (31037-02-2) → 2-(4-fluoro-phenyl)-6-methyl-4-(3-trifluoromethyl-phenyl)-1,6-dihydro-2H-1,2,5,6,7-pentaaza-as-indacen-3-one (635324-72-0)

Guidance literature:

Multi-step reaction with 4 steps

1: NaH / dioxane / Heating

2: 65 g / POCl₃ / 6 h / Heating

3: ethanol / Heating

4: AcOH / Heating

With sodium hydride; acetic acid; trichlorophosphate; In 1,4-dioxane; ethanol;

DOI:10.1016/S0968-0896(03)00183-4

Reference yield:

ethyl 3-(trifluoromethyl)benzoate (76783-59-0) → 2-(4-fluoro-phenyl)-6-methyl-4-(3-trifluoromethyl-phenyl)-1,6-dihydro-2H-1,2,5,6,7-pentaaza-as-indacen-3-one (635324-72-0)

Guidance literature:

Multi-step reaction with 6 steps

1: NaH / various solvent(s) / Heating

2: 15.55 g / acetonitrile; methanol; hexane

3: NaH / dioxane / Heating

4: 65 g / POCl₃ / 6 h / Heating

5: ethanol / Heating

6: AcOH / Heating

With sodium hydride; acetic acid; trichlorophosphate; In 1,4-dioxane; methanol; ethanol; hexane; acetonitrile;

DOI:10.1016/S0968-0896(03)00183-4

Reference yield:

ethyl 3-methoxy-3-(3-trifluoromethylphenyl)-2-propenoate (635324-51-5) → 2-(4-fluoro-phenyl)-6-methyl-4-(3-trifluoromethyl-phenyl)-1,6-dihydro-2H-1,2,5,6,7-pentaaza-as-indacen-3-one (635324-72-0)

Guidance literature:

Multi-step reaction with 4 steps

1: NaH / dioxane / Heating

2: 65 g / POCl₃ / 6 h / Heating

3: ethanol / Heating

4: AcOH / Heating

With sodium hydride; acetic acid; trichlorophosphate; In 1,4-dioxane; ethanol;

DOI:10.1016/S0968-0896(03)00183-4

upstream raw materials:

ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

ethyl 3-(trifluoromethyl)benzoate

ethyl 3-methoxy-3-(3-trifluoromethylphenyl)-2-propenoate

ethyl 4-chloro-1-methyl-6-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

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