2-phenyl-1,2-benzisothiazol-3-(2H)-one

Base Information

• Chemical Name: 2-phenyl-1,2-benzisothiazol-3-(2H)-one
• CAS No.: 2527-03-9
• Molecular Formula: C13H9 N O S
• Molecular Weight: 227.287
• Hs Code.: 2934999090
• Mol file: 2527-03-9.mol

Synonyms:1,2-Benzisothiazolin-3-one,2-phenyl- (7CI,8CI); 2-Phenyl-1,2-benzisothiazol-3(2H)-one; PZ 25; RP 62373; XD682

Chemical Property of 2-phenyl-1,2-benzisothiazol-3-(2H)-one

Chemical Property:

• Vapor Pressure: 2.97E-06mmHg at 25°C
• Melting Point: 139-140 °C(Solv: ethanol (64-17-5))
• Boiling Point: 388.9°Cat760mmHg
• PKA: -0.55±0.20(Predicted)
• Flash Point: 189°C
• PSA: 50.24000
• Density: 1.338g/cm³
• LogP: 3.05220

Purity/Quality:

97% ^*data from raw suppliers

2-PHENYL-1,2-BENZISOTHIAZOL-3-(2H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-phenyl-1,2-benzisothiazol-3-(2H)-one

There total 60 articles about 2-phenyl-1,2-benzisothiazol-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: 99.0%

2-mercapto-N-phenylbenzamide (18205-99-7) → 2-phenyl-1,2-benzisothiazolin-3-one (2527-03-9)

Guidance literature:

With copper(l) iodide; oxygen; In N,N-dimethyl-formamide; at 70 ℃; for 5h; under 760.051 Torr;

DOI:10.1021/jo401056g

Reference yield: 98.0%

N-phenyl-2-(methylsulfinyl)benzamide (79054-68-5) → 2-phenyl-1,2-benzisothiazolin-3-one (2527-03-9) + methylene chloride (74-87-3)

Guidance literature:

With thionyl chloride; In dichloromethane; for 0.166667h; Heating;

DOI:10.1039/c39810000510

Reference yield: 98.0%

N-phenyl-2-(methylsulfinyl)benzamide (79054-68-5) → 2-phenyl-1,2-benzisothiazolin-3-one (2527-03-9)

Guidance literature:

With thionyl chloride; In dichloromethane; for 0.166667h; Heating;

DOI:10.1246/bcsj.55.1183

upstream raw materials:

2,2'-dithiodibenzoic acid dichloride

aniline

(Z)-N-phenyl-3H-benzo[c][1,2]dithiol-3-imine

N-phenyl benzoyl amide

Downstream raw materials:

3-hydroxy-benzo[b]thiophene-2-carboxylic acid anilide

2-Phenyl-3-phenylimino-1,2-benzisothiazolin

N-phenyl-2-(phenylthio)benzamide

N-phenyl-2-(methylthio)benzamide