2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione

Base Information

Chemical Name:2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
CAS No.:88312-82-7
Molecular Formula:C₁₄H₁₀BrNO₂S
Molecular Weight:336.209
Hs Code.:
DSSTox Substance ID:DTXSID40580492

Synonyms:88312-82-7;DTXSID40580492;2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione

Suppliers and Price of 2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione

Supply Marketing:

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

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Chemical Property of 2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:334.96156
Heavy Atom Count:19
Complexity:403

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=O)Br

Technology Process of 2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione

There total 2 articles about 2-(2-Bromo-4-methylphenyl)-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione 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: 52.0%

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

: 88312-82-7
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one 1-oxide

Guidance literature:: With dihydrogen peroxide; In acetic acid; Ambient temperature;
DOI:10.1016/S0040-4020(01)91925-8

Reference yield:

: 88312-83-8
C₂₈H₂₂Br₂N₂O₂S₂

: 88312-82-7
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one 1-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / SOCl₂ / 18 h / Heating

2: 52 percent / 30percent H₂O₂ / acetic acid / Ambient temperature

With thionyl chloride; dihydrogen peroxide; In acetic acid;
DOI:10.1016/S0040-4020(01)91925-8

Reference yield:

: 88312-82-7
2-(2-bromo-4-methylphenyl)-1,2-benzisothiazol-3(2H)-one 1-oxide

: 88312-83-8
C₂₈H₂₂Br₂N₂O₂S₂

Guidance literature:: With water; tert.-butyl lithium; Product distribution; 1) THF-pentane, -105 deg C; 2) room temperature;
DOI:10.1016/S0040-4020(01)91925-8