2,3-Dibromo-1-benzothiophene 1,1-dioxide

Base Information

• Chemical Name: 2,3-Dibromo-1-benzothiophene 1,1-dioxide
• CAS No.: 19163-38-3
• Molecular Formula: C8H4Br2O2S
• Molecular Weight: 323.9892
• NSC Number: 133587
• DSSTox Substance ID: DTXSID50940806
• Nikkaji Number: J2.442.962H
• Wikidata: Q82917519
• Mol file: 19163-38-3.mol

Synonyms:2,3-dibromo-1-benzothiophene 1,1-dioxide;19163-38-3;NSC133587;DTXSID50940806;AKOS000281831;NSC-133587;2,3-dibromobenzo[b]thiophene 1,1-dioxide;2,3-Dibromo-1H-1-benzothiophene-1,1-dione;AC-907/25004746

Chemical Property of 2,3-Dibromo-1-benzothiophene 1,1-dioxide

Chemical Property:

• Vapor Pressure: 2.36E-07mmHg at 25°C
• Refractive Index: 1.739
• Boiling Point: 434.7 °C at 760 mmHg
• Flash Point: 216.7 °C
• Density: 2.264 g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 323.82783
• Heavy Atom Count: 13
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dibromo-1-benzothiophene 1,1-dioxide

There total 2 articles about 2,3-Dibromo-1-benzothiophene 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: 80.0%

2,3-dibromobenzo[b]thiophene (6287-82-7) → 2,3-dibromo-benzo[b]thiophene 1,1-dioxide (19163-38-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1039/c6cc09892d

Reference yield:

→ 2,3-dibromo-benzo[b]thiophene 1,1-dioxide (19163-38-3)

Guidance literature:

aus 2,3-Dibrombenzothiophen;

Reference yield: 95.0%

4-Fluorophenol (371-41-5) + 2,3-dibromo-benzo[b]thiophene 1,1-dioxide (19163-38-3) → 2-bromo-3-(4-fluoro-phenoxy)-benzo[b]thiophene 1,1-dioxide

Guidance literature:

With caesium carbonate; In tetrahydrofuran; at 23 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.01.141

upstream raw materials:

2,3-dibromobenzo[b]thiophene

Downstream raw materials:

C₂₈H₂₀N₂O₂S₃

2,3-diphenylbenzo[b]thiophene 1,1-dioxide

2,3-bis(4-(diphenylamino)phenyl)benzo[b]thiophene S,S-dioxide