6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one

Base Information

• Chemical Name: 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
• CAS No.: 1221500-45-3
• Molecular Formula: C₂₂H₁₉F₄N₃O₂
• Molecular Weight: 433.405

Synonyms:6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one

Chemical Property of 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one

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Technology Process of 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one

There total 6 articles about 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-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: 5.0%

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one (943994-02-3) + 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole (1221502-48-2) → 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one (1221500-45-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; caesium carbonate; In tetrahydrofuran; water; for 18h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2014.07.038

Reference yield:

4-bromo-5-(4-fluorophenyl)-3-methyl-1H-pyrazole (1221503-82-7) → 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one (1221500-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran; toluene / 0.5 h / 60 °C

2: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / tetrahydrofuran; water / 18 h / Inert atmosphere; Reflux

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; di-isopropyl azodicarboxylate; caesium carbonate; triphenylphosphine; In tetrahydrofuran; water; toluene; 1: |Mitsunobu Displacement / 2: |Suzuki Coupling;

DOI:10.1016/j.bmc.2014.07.038

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one (1221500-45-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / 20 °C

1.2: 3 h / 40 °C

2.1: hydrazine; triethylamine; trifluoroacetic acid / isopropyl alcohol / 1 h / 80 °C

3.1: N-Bromosuccinimide / acetonitrile / 0.17 h / 20 °C

4.1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran; toluene / 0.5 h / 60 °C

5.1: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / tetrahydrofuran; water / 18 h / Inert atmosphere; Reflux

With N-Bromosuccinimide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; di-isopropyl azodicarboxylate; sodium hydride; caesium carbonate; triethylamine; triphenylphosphine; trifluoroacetic acid; hydrazine; In tetrahydrofuran; water; isopropyl alcohol; toluene; acetonitrile; 4.1: |Mitsunobu Displacement / 5.1: |Suzuki Coupling;

DOI:10.1016/j.bmc.2014.07.038

upstream raw materials:

4-bromo-5-(4-fluorophenyl)-3-methyl-1H-pyrazole

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole

1-(4-fluorophenyl)ethanone

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