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

Base Information

• Chemical Name: 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole
• CAS No.: 1221502-48-2
• Molecular Formula: C₁₄H₁₃BrF₄N₂
• Molecular Weight: 365.168

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

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

Chemical Property:

Purity/Quality:

Safty Information:

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

There total 4 articles about 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole 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: 30.0%

4,4,4-trifluorobutanol (461-18-7) + 4-bromo-5-(4-fluorophenyl)-3-methyl-1H-pyrazole (1221503-82-7) → 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole (1221502-48-2)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; toluene; at 60 ℃; for 0.5h;

DOI:10.1016/j.bmc.2014.07.038

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole (1221502-48-2)

Guidance literature:

Multi-step reaction with 4 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

With N-Bromosuccinimide; di-isopropyl azodicarboxylate; sodium hydride; triethylamine; triphenylphosphine; trifluoroacetic acid; hydrazine; In tetrahydrofuran; isopropyl alcohol; toluene; acetonitrile; 4.1: |Mitsunobu Displacement;

DOI:10.1016/j.bmc.2014.07.038

Reference yield:

p-fluorobenzoylacetone (29681-98-9) → 4-bromo-5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)-1H-pyrazole (1221502-48-2)

Guidance literature:

Multi-step reaction with 3 steps

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

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

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

With N-Bromosuccinimide; di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; trifluoroacetic acid; hydrazine; In tetrahydrofuran; isopropyl alcohol; toluene; acetonitrile; 3: |Mitsunobu Displacement;

DOI:10.1016/j.bmc.2014.07.038

upstream raw materials:

4,4,4-trifluorobutanol

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

1-(4-fluorophenyl)ethanone

p-fluorobenzoylacetone

Downstream raw materials:

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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