1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-

Base Information

Chemical Name:1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-
CAS No.:88312-81-6
Molecular Formula:C14H10BrNOS
Molecular Weight:320.209
Hs Code.:
DSSTox Substance ID:DTXSID40475172
Nikkaji Number:J2.379.402K
Wikidata:Q82305473

Synonyms:88312-81-6;1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-;SCHEMBL20022715;DTXSID40475172;2-(2-Bromo-4-methylphenyl)-1,2-benzoisothiazole-3(2H)-one

Suppliers and Price of 1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:318.96665
Heavy Atom Count:18
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3S2)Br

Technology Process of 1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)-

There total 5 articles about 1,2-Benzisothiazol-3(2H)-one, 2-(2-bromo-4-methylphenyl)- 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: 97.0%

: N-(2-bromo-4-methylphenyl)-2-mercaptobenzamide

: 88312-81-6
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one

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: 75.0%

: 88312-83-8
C₂₈H₂₂Br₂N₂O₂S₂

: 88312-81-6
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one

Guidance literature:: With thionyl chloride; for 18h; Heating;
DOI:10.1016/S0040-4020(01)91925-8

Reference yield:

2-bromo-p-toluidine: 583-68-6
2-bromo-p-toluidine

: 88312-81-6
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / AlMe₃ / CH₂Cl₂; toluene / 0 - 60 °C

2: 67 percent / phenyliodine(III)-bis(trifluoroacetate); TFA / CH₂Cl₂ / 1 h / 0 °C

With trimethylaluminum; trifluoroacetic acid; bis-[(trifluoroacetoxy)iodo]benzene; In dichloromethane; toluene;
DOI:10.1021/ol061867q