3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE

Base Information

• Chemical Name: 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE
• CAS No.: 90779-46-7
• Molecular Formula: C8H5 N O5 S
• Molecular Weight: 227.197
• Hs Code.: 2934991000
• Mol file: 90779-46-7.mol

Synonyms:6-Carboxy-1,2-benzisothiazol-3-one1,1-dioxide; NSC 602923

Chemical Property of 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE

Chemical Property:

• PKA: 1.12±0.30(Predicted)
• PSA: 108.92000
• Density: 1.745±0.06 g/cm3(Predicted)
• LogP: 1.22650

Purity/Quality:

98%min ^*data from raw suppliers

6-Carboxy-1,2-benzisothiazol-3-one1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE

There total 3 articles about 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLIC ACID 1,1-DIOXIDE 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: 73.63%

2,5-dimethylbenzenesulphonamide (6292-58-6) → 3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide (90779-46-7) + 2-sulfamoylterephthalic acid (80998-66-9)

Guidance literature:

With sodium hypochlorite; dichloro(2,2'-bipyridine)nickel(II); at 25 - 40 ℃; for 4.25h; Overall yield = 75.53 %; Overall yield = 19.99 g;

Reference yield:

2,5-dimethylbenzenesulfonic acid (609-54-1) → 3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide (90779-46-7) + 2-sulfamoylterephthalic acid (80998-66-9)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 5.17 h / 20 - 75 °C

2: ammonium hydroxide / 6 h / 20 °C

3: dichloro(2,2'-bipyridine)nickel(II); sodium hypochlorite / 4.25 h / 25 - 40 °C

With ammonium hydroxide; sodium hypochlorite; thionyl chloride; dichloro(2,2'-bipyridine)nickel(II);

Reference yield:

2,5-dimethylbenzenesulfonyl chloride (19040-62-1) → 3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide (90779-46-7) + 2-sulfamoylterephthalic acid (80998-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / 6 h / 20 °C

2: dichloro(2,2'-bipyridine)nickel(II); sodium hypochlorite / 4.25 h / 25 - 40 °C

With ammonium hydroxide; sodium hypochlorite; dichloro(2,2'-bipyridine)nickel(II);

upstream raw materials:

2,5-dimethylbenzenesulphonamide

2,5-dimethylbenzenesulfonic acid

2,5-dimethylbenzenesulfonyl chloride

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