2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one

Base Information

• Chemical Name: 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one
• CAS No.: 727664-91-7
• Molecular Formula: C₁₅H₁₂FNOS
• Molecular Weight: 273.331
• Mol file: 727664-91-7.mol

Synonyms:2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one

Chemical Property of 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one

Chemical Property:

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one

There total 3 articles about 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-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: 40.0%

2,5-Dimethylaniline (95-78-3) + 4-fluoro-2-sulfanyl-benzoic acid (81223-43-0) → 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one (727664-91-7)

Guidance literature:

4-fluoro-2-sulfanyl-benzoic acid; With 2-propane phosphonic acid anhydride; In ethyl acetate; at 20 ℃; for 0.25h;

2,5-Dimethylaniline; With 4-methyl-morpholine; In ethyl acetate; at 20 ℃; for 3h;

DOI:10.1021/jm101401a

Reference yield:

C15H14FNOS (1622392-95-3) → 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one (727664-91-7)

Guidance literature:

With trifluoroacetic acid; bis-[(trifluoroacetoxy)iodo]benzene; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2014.07.013

Reference yield:

2,5-Dimethylaniline (95-78-3) + methyl 4-fluoro-2-sulfanyl-benzoate (81223-44-1) → 2-(2,5-dimethylphenyl)-6-fluorobenzo[d]isothiazol-3(2H)-one (727664-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trimethylaluminum / dichloromethane; tetrahydrofuran / 0.5 h / 0 - 20 °C / Inert atmosphere

1.2: 60 °C / Inert atmosphere

2.1: bis-[(trifluoroacetoxy)iodo]benzene; trifluoroacetic acid / dichloromethane / 20 °C

With trimethylaluminum; trifluoroacetic acid; bis-[(trifluoroacetoxy)iodo]benzene; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2014.07.013

upstream raw materials:

2,5-Dimethylaniline

4-fluoro-2-sulfanyl-benzoic acid

C₁₅H₁₄FNOS

methyl 4-fluoro-2-sulfanyl-benzoate