2527-03-9

Basic information

• Product Name: 2-phenyl-1,2-benzisothiazol-3-(2H)-one
• Synonyms: 2-phenyl-1,2-benzisothiazol-3-(2H)-one;2-Phenyl-1-thia-2-azaindan-3-one;2-Phenyl-2,3-dihydro-1,2-benzoisothiazole-3-one;PZ-25;RP-62373
• CAS NO: 2527-03-9
• Molecular Formula: C₁₃H₉NOS
• Molecular Weight: 227.28
• Mol File: 2527-03-9.mol
• Article Data: 47

Chemical Properties

• Melting Point: 139-140 °C(Solv: ethanol (64-17-5))
• Boiling Point: 388.9°Cat760mmHg
• Flash Point: 189°C
• Appearance: /
• Density: 1.338g/cm³
• Vapor Pressure: 2.97E-06mmHg at 25°C
• Refractive Index: 1.698
• PKA: -0.55±0.20(Predicted)
• CAS DataBase Reference: 2-phenyl-1,2-benzisothiazol-3-(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-phenyl-1,2-benzisothiazol-3-(2H)-one(2527-03-9)
• EPA Substance Registry System: 2-phenyl-1,2-benzisothiazol-3-(2H)-one(2527-03-9)

Safety Data

• Hazardous Substances Data: 2527-03-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Upstream product

• 2527-63-1 2,2'-dithiobis(N-phenylbenzamide) 
• 1350626-35-5 [(η6-p-cymene)Ru(ethylenediamine)(2-mercaptobenzanilide(-1H))]PF6 
• 70-18-8 GLUTATHIONE 
• 18205-99-7 2-mercapto-N-phenylbenzamide 
• 147-93-3 Thiosalicylic acid 
• 62-53-3 aniline 
• 15310-01-7 benodanil 
• 19602-82-5 2,2'-dithiodibenzoic acid dichloride 
• 119-80-2 2,2'-dithiobenzoic acid 
• 3950-02-5 2-chlorosulfenylbenzoyl chloride 
• 609-67-6 2-Iodobenzoyl chloride 
• 88-67-5 2-Iodobenzoic acid 
• 3724-10-5 2-(methylthio)benzoic acid 
• 2634-33-5 1,2-benzisothiazolin-3-one 

Downstream Products

• 4163-04-6 3-chloro-2-phenyl-benzo[d]isothiazolium; chloride 
• 3159-07-7 dibenzo[b,f][1,4]thiazepin-11-one 
• 23343-16-0 N-phenyl-2-(methylthio)benzamide 
• 109806-80-6 N-phenyl-2-(phenylthio)benzamide 
• 75190-29-3 2-Phenyl-3-phenylimino-1,2-benzisothiazolin 
• 56424-74-9 3-hydroxy-benzo[b]thiophene-2-carboxylic acid anilide 

Relevant articles and documents

No-carrier-added labeling of the neuroprotective Ebselen with selenium-73 and selenium-75

Selenium-73 is a positron emitting non-standard radionuclide, which is suitable for positron emission tomography. A copper-catalyzed reaction allowed no-carrier-added labeling of the anti-inflammatory seleno-organic compound Ebselen with 73Se and 75Se under addition of sulfur carrier in a one-step reaction. The new authentically labeled radioselenium molecule is thus available for preclinical evaluation and positron emission tomography studies.

Structure-Activity Studies Reveal Scope for Optimisation of Ebselen-Type Inhibition of SARS-CoV-2 Main Protease

The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID-19) and other diseases. We report structure-activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro), employing turnover and protein-observed mass spectrometry-based assays. The results reveal scope for optimisation of ebselen/ebselen derivative- mediated inhibition of Mpro, particularly with respect to improved selectivity.

Electrochemical synthesis for benzisothiazol-3(2H)-ones by dehydrogenative N[sbnd]S bond formation

Herein, we report an electrochemical method for the synthesis of benzisothiazol-3(2H)-ones from 2-mercaptobenzamides. The electrochemical reaction proceeds through intramolecular N[sbnd]H/S[sbnd]H coupling cyclization reaction by generating H2 as the nonhazardous side product. Moreover, the developed procedure is highly advantageous due to its short reaction time, mild conditions and wide substrate scope without the employment of metal catalyst and exogenous-oxidant.2009 Elsevier Ltd. All rights reserved.