2-(2-Bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide

Base Information

• Chemical Name: 2-(2-Bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide
• CAS No.: 7248-71-7
• Molecular Formula: C9H8BrNO3S
• Molecular Weight: 290.137
• Hs Code.: 2934100090
• NSC Number: 49756
• DSSTox Substance ID: DTXSID90287227
• Wikidata: Q82023192
• Mol file: 7248-71-7.mol

Synonyms:7248-71-7;2-(2-bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide;2-(2-bromoethyl)-1,1-dioxo-1,2-benzothiazol-3-one;NSC49756;2-(2-bromoethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide;SCHEMBL9437884;DTXSID90287227;BBL018976;MFCD03789713;NSC-49756;STL119781;AKOS000202863;CS-0222735;EN300-11241;SR-01000059688;SR-01000059688-1;Z57040518;2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione;2-(2-Bromoethyl)-2,3-dihydro-1,2-benzothiazole-1,1,3-trione;2-(2-bromoethyl)-2,3-dihydro-1|E?,2-benzothiazole-1,1,3-trione;2-(2-bromoethyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Chemical Property of 2-(2-Bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.03E-07mmHg at 25°C
• Melting Point: 95-96 °C
• Boiling Point: 433.3°Cat760mmHg
• PKA: -15.14±0.20(Predicted)
• Flash Point: 215.9°C
• PSA: 62.83000
• Density: 1.775g/cm³
• LogP: 2.24470
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 288.94083
• Heavy Atom Count: 15
• Complexity: 362

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCBr

Technology Process of 2-(2-Bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide

There total 7 articles about 2-(2-Bromoethyl)-1,2-benzisothiazol-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: 44.0%

saccharin sodium salt (128-44-9) + ethylene dibromide (106-93-4) → 2-(2-bromoethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (7248-71-7)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃;

DOI:10.1002/ejoc.200600508

Reference yield: 37.0%

saccharin sodium salt (128-44-9) + 2-bromoethanol (540-51-2) → 3-(2-bromoethoxy)-benzo[d]isothiazole 1,1-dioxide + 2-(2-bromoethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (7248-71-7)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1002/ejoc.200600508

Reference yield:

C7H5NO3S*CH4 + ethylene dibromide (106-93-4) → 2-(2-bromoethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (7248-71-7)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 24h;

DOI:10.1016/j.ejmech.2016.09.078

upstream raw materials:

saccharin sodium salt

ethylene dibromide

saccharin

2-bromoethanol

Downstream raw materials:

6-Phenyl-7-[2-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-ethyl]-6,7-diaza-spiro[3.4]octane-5,8-dione

2-Phenyl-3-[2-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-ethyl]-2,3-diaza-spiro[4.4]nonane-1,4-dione

2-Phenyl-3-[2-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-ethyl]-2,3-diaza-spiro[4.5]decane-1,4-dione