63113-47-3

Basic information

• Product Name: 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-, 1,1-dioxide
• CAS NO: 63113-47-3
• Molecular Formula: C14H11NO3S
• Molecular Weight: 273.312
• Mol File: 63113-47-3.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-, 1,1-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-, 1,1-dioxide(63113-47-3)
• EPA Substance Registry System: 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-, 1,1-dioxide(63113-47-3)

Safety Data

• Hazardous Substances Data: 63113-47-3(Hazardous Substances Data)

Upstream product

• 26638-43-7 2-methoxycarbonylbenzenesulfonyl chloride 
• 106-49-0 p-toluidine 
• 111887-00-4 2-p-tolylsulfamoyl-benzoic acid 
• 1864-94-4 phenyl formate 
• 81-07-2 saccharin 
• 35812-01-2 N-bromosaccharin 
• 108-88-3 toluene 
• 81-08-3 2-sulfobenzoic acid cyclic anhydride 
• 5720-05-8 4-methylphenylboronic acid 
• 3076-56-0 p-tolyllead triacetate 
• 128-44-9 saccharin sodium salt 

Downstream Products

• 111887-00-4 2-p-tolylsulfamoyl-benzoic acid 
• 88312-76-9 3-butyl-3-methoxy-2-(4-methylphenyl)-2,3-dihydro-1,2-benzisothiazol 1,1-dioxide 

Relevant articles and documents

Novel insights on saccharin- and acesulfame-based carbonic anhydrase inhibitors: design, synthesis, modelling investigations and biological activity evaluation

A large library of saccharin and acesulfame derivatives has been synthesised and evaluated against four isoforms of human carbonic anhydrase, the two off-targets hCA I/II and the tumour related isoforms hCA IX/XII. Different strategies of scaffold modification have been attempted on both saccharin as well as acesulfame core leading to the obtainment of 60 compounds. Some of them exhibited inhibitory activity in the nanomolar range, albeit some of the performed changes led to either micromolar activity or to its absence, against hCA IX/XII. Molecular modelling studies focused the attention on the binding mode of these compounds to the enzyme. The proposed inhibition mechanism is the anchoring to zinc-bound water molecule. Docking studies along with molecular dynamics also underlined the importance of the compounds flexibility (e.g. achieved through the insertion of methylene group) which favoured potent and selective hCA inhibition.

Decarbonylative C-C bond-forming reactions of saccharins by nickel catalysis: Homocoupling and cycloaddition

Decarbonylation of saccharins by nickel catalysis enables two kinds of C-C bond-forming reactions; homocoupling of saccharins to form biaryls and cycloaddition with alkynes to form benzosultams. The former represents the first reported nickel-catalyzed decarbonylative C-C homocoupling reaction, whereas the latter constitutes a powerful method to pharmaceutically relevant benzosultams. The reactions proceed with good functional-group tolerance and excellent regioselectivity.

BENZISOTHIAZOLINE DERIVATIVE, PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE, AND PEST CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE

A plant disease control agent for agricultural or horticultural use and a pest control agent for agricultural or horticultural use, which contain a benzisothiazoline derivative or a salt thereof as an active ingredient and have the following marked effect