1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester

Base Information

• Chemical Name: 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester
• CAS No.: 699010-07-6
• Molecular Formula: C₁₄H₈F₁₀N₂O₃S
• Molecular Weight: 474.279

Synonyms:1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester

Chemical Property of 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester

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Technology Process of 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester

There total 2 articles about 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester 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: 89.0%

Nonafluorobutanesulfonyl fluoride (375-72-4) + 3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-ol (699010-06-5) → 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester (699010-07-6)

Guidance literature:

3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-ol; With sodium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

Nonafluorobutanesulfonyl fluoride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1055/s-2004-820020

Reference yield:

methyl 4-fluorobenzoyl acetate (63131-29-3) → 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester (699010-07-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 72 percent / Ph₃PO; (CF₃CO)2O; Et₃N / 1,2-dichloro-ethane / Heating

2.1: aq. ethanol / 7 h / 60 °C

3.1: NaHMDS / tetrahydrofuran / 0.08 h / 0 °C

3.2: 89 percent / tetrahydrofuran / 0 - 20 °C

With sodium hexamethyldisilazane; triethylamine; Triphenylphosphine oxide; trifluoroacetic anhydride; In tetrahydrofuran; ethanol; 1,2-dichloro-ethane;

DOI:10.1055/s-2004-820020

Reference yield: 64.0%

4-methoxyphenylboronic acid (5720-07-0) + 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonic acid 5-(4-fluoro-phenyl)-2-methyl-2H-pyrazol-3-yl ester (699010-07-6) → 3-(4-fluoro-phenyl)-5-(4-methoxy-phenyl)-1-methyl-1H-pyrazole

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 100 ℃; for 18h;

DOI:10.1055/s-2004-820020

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-ol

methyl 4-fluorobenzoyl acetate

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