6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: 6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 62473-92-1
• Molecular Formula: C7H4 Br N O3 S
• Molecular Weight: 262.084
• Hs Code.: 2934100090
• European Community (EC) Number: 830-350-7
• Nikkaji Number: J989.886G
• Mol file: 62473-92-1.mol

Synonyms:6-bromosaccharine;62473-92-1;6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide;6-bromo-1,1-dioxo-1,2-benzothiazol-3-one;C7H4BrNO3S;SCHEMBL1476316;CNDPIUXFHSMKMG-UHFFFAOYSA-N;AMY30989;MFCD03789731;AKOS025290420;CS-W005058;DS-9044;NCGC00238770-01;6-Bromobenzoisothiazol-3(2H)-one 1,1-dioxide;EN300-195696;H10968;A868465;6-Bromo-1,2-benzothiazol-3(2H)-one 1,1-dioxide;1,2-Benzisothiazol-3(2H)-one,6-bromo-,1,1-dioxide;6-bromo-1,2-benzisothiazol-3(2H)-one 1,1-dioxide;6-Bromo-1,2-benzisothiazole-3(2H)-one 1,1-dioxide;6-bromo-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione;6-Bromo-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one

Chemical Property of 6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• PKA: 1.15±0.30(Predicted)
• PSA: 71.62000
• Density: 1.958±0.06 g/cm3(Predicted)
• LogP: 2.29080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 260.90953
• Heavy Atom Count: 13
• Complexity: 334

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-Bromobenzo[d]isothiazol-3(2H)-one1,1-dioxide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)S(=O)(=O)NC2=O

Technology Process of 6-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

There total 14 articles about 6-Bromobenzo[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: 96.0%

6-bromo-2-tert-butyl-1,2-benzothiazol-3(2H)-one-1,1-dioxide → 6-bromosaccharin (62473-92-1)

Guidance literature:

With trifluoroacetic acid; at 80 ℃; for 24h;

DOI:10.1021/acs.jmedchem.9b02016

Reference yield: 91.0%

→ 6-bromosaccharin (62473-92-1)

Guidance literature:

With sulfuric acid; at 20 ℃; for 1h;

Reference yield: 89.0%

4-bromo-2-sulfamoylbenzoic acid (1242134-19-5) → 6-bromosaccharin (62473-92-1)

Guidance literature:

With sulfuric acid; at 20 ℃; for 3h;

upstream raw materials:

5-bromo-2-methylbenzene-1-sulfonamide

2-amino-4-bromo-benzoic acid methyl ester

para-bromotoluene

5-bromo-2-methyl-benzene-sulfonyl chloride

Downstream raw materials:

2-benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

(2-benzyl-1,1-dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yl)boronic acid

6,6'-((1,1' : 3',1''-terphenyl)-3,3''-diylbis(methylene))bis(2-benzylbenzo[d]isothiazol-3(2H)-one) 1,1-dioxide

2-benzyl-6-bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Refernces

• 1、 -. "INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER". Paragraph 0096; 0098; 0106; 0108. . Retrieved 2020/04/21.
• 2、 Corpas-López, Victoriano,Tabraue-Chávez, Mavys,Sixto-López, Yudibeth,Panadero-Fajardo, Sonia,Alves De Lima Franco, Fernando,Domínguez-Seglar, José F.,Morillas-Márquez, Francisco,Franco-Montalbán, Francisco,Díaz-Gavilán, Mónica,Correa-Basurto, José,López-Viota, Julián,López-Viota, Margarita,Pérez Del Palacio, José,De La Cruz, Mercedes,De Pedro, Nuria,Martín-Sánchez, Joaquina,Gómez-Vidal, José A.. "O-Alkyl Hydroxamates Display Potent and Selective Antileishmanial Activity". supporting information. p. 5734 - 5751. Retrieved 2020/07/14.