4-(2-bromoacetyl)benzenesulfonyl Chloride

Base Information

• Chemical Name: 4-(2-bromoacetyl)benzenesulfonyl Chloride
• CAS No.: 5038-59-5
• Molecular Formula: C8H6BrClO3S
• Molecular Weight: 297.557
• Hs Code.: 2914700090
• European Community (EC) Number: 673-472-4
• DSSTox Substance ID: DTXSID70373576
• Wikidata: Q82161772
• Mol file: 5038-59-5.mol

Synonyms:4-(2-bromoacetyl)benzenesulfonyl Chloride;5038-59-5;4-(2-Bromoacetyl)benzene-1-sulfonyl chloride;4-(2-bromo-acetyl)-benzenesulfonyl chloride;2-bromo-4'-chlorosulfonylacetophenone;SCHEMBL3144401;DTXSID70373576;YSZVEXHEBFFCSK-UHFFFAOYSA-N;MFCD03424999;AKOS016846016;4-(2-bromoacetyl)phenylsulfonyl chloride;AS-36537;4-(2-Bromoacetyl)benzene-1-sulfonylchloride;CS-0171005;A828094

Chemical Property of 4-(2-bromoacetyl)benzenesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 4.29E-06mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 383.8 °C at 760 mmHg
• Flash Point: 185.9 °C
• PSA: 59.59000
• Density: 1.742 g/cm³
• LogP: 3.27250
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.89096
• Heavy Atom Count: 14
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Bromoacetyl)benzene-1-sulfonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)S(=O)(=O)Cl

Technology Process of 4-(2-bromoacetyl)benzenesulfonyl Chloride

There total 2 articles about 4-(2-bromoacetyl)benzenesulfonyl Chloride 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:

4-Acetylbenzenesulfonyl chloride (1788-10-9) → 4-(2-bromoacetyl)benzenesulfonic acid chloride (5038-59-5)

Guidance literature:

With bromine; dibenzoyl peroxide;

DOI:10.1039/j39660000533

Reference yield:

→ 4-(2-bromoacetyl)benzenesulfonic acid chloride (5038-59-5)

Guidance literature:

Reference yield: 35.0%

4-(2-bromoacetyl)benzenesulfonic acid chloride (5038-59-5) + sodium ethyltrithiocarbonate (67715-76-8) + 4-methoxy-aniline (104-94-9) → ethyl 2-[3-(4-methoxyphenylsulfamoyl)phenyl]-2-oxoethyl trithiocarbonate (1039454-34-6)

Guidance literature:

4-(2-bromoacetyl)benzenesulfonic acid chloride; 4-methoxy-aniline; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

sodium ethyltrithiocarbonate; In tetrahydrofuran; for 18h;

DOI:10.1021/jm800093c

upstream raw materials:

4-Acetylbenzenesulfonyl chloride

Downstream raw materials:

ethyl 2-[3-(4-methoxyphenylsulfamoyl)phenyl]-2-oxoethyl trithiocarbonate

2-[4-(3-benzodioxylsulfamoyl)phenyl]-2-oxoethyl ethyl trithiocarbonate

Refernces

• 1、 -. "Thiazolidine derivatives". . . Retrieved 2008/06/13.