<2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid

Base Information

• Chemical Name: <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid
• CAS No.: 77795-61-0
• Molecular Formula: C₁₆H₉F₄NO₂S
• Molecular Weight: 355.313
• Mol file: 77795-61-0.mol

Synonyms:<2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid

Chemical Property of <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid

There total 2 articles about <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid 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: 14.0%

2-chloro-5-(trifluoromethyl)benzonitrile (328-87-0) + 6-fluorobenzothiophen-2<3H>-one (70931-82-7) → <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid (77795-61-0) + <2-(2-aminocarbonyl-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid (77795-60-9)

Guidance literature:

With potassium carbonate; potassium iodide; In ethanol; water; for 13h; Heating;

DOI:10.1135/cccc19810118

Reference yield:

sodium (2-amino-4-fluorophenyl)acetate (70931-79-2) → <2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid (77795-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) NaNO₂, HCl, 2) Na₂S, S, NaOH, 3) Zn, acetic acid / 1) water, 0 degC, 1 h, 2) water 5-10 degC, 2.75 h, 3) reflux, 4 h

2: K₂CO₃,KI / ethanol; H₂O / 13 h / Heating

With hydrogenchloride; sodium sulfide; sodium hydroxide; potassium carbonate; acetic acid; potassium iodide; zinc; sodium nitrite; In ethanol; water;

DOI:10.1135/cccc19810118

Reference yield: 96.0%

<2-(2-cyano-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid (77795-61-0) → <2-(2-carboxy-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid (77795-62-1)

Guidance literature:

With potassium hydroxide; In water; for 3.5h; Heating;

DOI:10.1135/cccc19810118

upstream raw materials:

2-chloro-5-(trifluoromethyl)benzonitrile

6-fluorobenzothiophen-2<3H>-one

sodium (2-amino-4-fluorophenyl)acetate

Downstream raw materials:

<2-(2-carboxy-4-trifluoromethylphenylthio)-4-fluorophenyl>acetic acid

methyl <2-(2-carboxy-4-trifluoromethylphenylthi)4-fluorophenyl>acetate

methyl <4-fluoro-2-(4-trifluoromethyl-2-methoxycarbonylphenylthio)phenyl>acetate