5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: 5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 908602-52-8
• Molecular Formula: C₁₁H₁₂BrNO₃S
• Molecular Weight: 318.191
• Hs Code.: 2934100090
• Mol file: 908602-52-8.mol

Synonyms:5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide;2-tert-Butyl-5-bromo-1,2-benzisothiazol-3-one 1,1-dioxide

Chemical Property of 5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• PSA: 62.83000
• LogP: 3.41080

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one1,1-dioxide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

There total 4 articles about 5-Bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide 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: 88.0%

4-bromo-N-(tert-butyl)-2-methyl benzenesulfonamide → 5-bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (908602-52-8)

Guidance literature:

With chromium(VI) oxide; acetic anhydride; periodic acid; In acetonitrile; at 20 ℃; for 10h;

DOI:10.1016/j.tet.2006.05.038

Reference yield: 52.0%

meta-bromotoluene (591-17-3) + tert-butylamine (75-64-9) → 5-bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (908602-52-8)

Guidance literature:

meta-bromotoluene; With chlorosulfonic acid; at -20 - 25 ℃; for 6h;

tert-butylamine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 8h;

With chromium(VI) oxide; acetic anhydride; periodic acid; In acetonitrile; at 0 - 20 ℃;

DOI:10.1016/j.tet.2006.05.038

Reference yield:

5-bromo-2-toluenesulfonyl chloride (139937-37-4) → 5-bromo-2-(tert-butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (908602-52-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 8 h / 0 - 20 °C

2: 88 percent / H₅IO₆; CrO₃; Ac₂O / acetonitrile / 10 h / 20 °C

With chromium(VI) oxide; acetic anhydride; periodic acid; triethylamine; In dichloromethane; acetonitrile;

DOI:10.1016/j.tet.2006.05.038

upstream raw materials:

meta-bromotoluene

tert-butylamine

5-bromo-2-toluenesulfonyl chloride

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