4-Chlorophenylsulfonylacetone

Base Information

• Chemical Name: 4-Chlorophenylsulfonylacetone
• CAS No.: 5000-48-6
• Molecular Formula: C9H9ClO3S
• Molecular Weight: 232.688
• Hs Code.: 38220090
• European Community (EC) Number: 672-265-6
• DSSTox Substance ID: DTXSID20334596
• Nikkaji Number: J410.616D
• Wikidata: Q82100466
• Mol file: 5000-48-6.mol

Synonyms:5000-48-6;4-Chlorophenylsulfonylacetone;1-((4-Chlorophenyl)sulfonyl)propan-2-one;1-[(4-Chlorophenyl)sulfonyl]acetone;4-Chlorobenzenesulphonylacetone;(4-Chlorophenylsulfonyl)acetone;1-(4-chlorophenyl)sulfonylpropan-2-one;p-Chlorophenylsulfonylacetone;4-Chlorobenzenesulfonylacetone;1-[(4-chlorophenyl)sulfonyl]propan-2-one;1-(4-chlorobenzenesulfonyl)propan-2-one;Maybridge1_004685;4-chlorophenylsulfonyl acetone;SCHEMBL2027971;4-Chlorobenzenesulphonyl acetone;HMS554M21;DTXSID20334596;4-Chlorophenylsulfonylpropan-2-one;4-Chlorobenzenesulphonylpropan-2-one;CCG-51895;MFCD00018663;STK670774;AKOS005592431;MS-7143;(4-CHLOROBENZENESULFONYL)ACETONE;1-(4-chlorophenyl)sulfonyl-2-propanone;1-(4-Chlorophenylsulfonyl)-2-propanone;1-(4-chlorophenylsulfonyl)propan-2-one;KM 01166;1-(4-chloro-benzenesulfonyl)-propan-2-one;CS-0314761;FT-0604752;Propan-2-one, 1-(4-chlorophenylsulphonyl)-;A827928;J-504075;SR-01000641165-1

Chemical Property of 4-Chlorophenylsulfonylacetone

Chemical Property:

• Appearance/Colour: Off-white crystalline powder
• Vapor Pressure: 1.74E-06mmHg at 25°C
• Melting Point: 89-91 °C
• Refractive Index: 1.54
• Boiling Point: 396.2 °C at 760 mmHg
• Flash Point: 193.4 °C
• PSA: 59.59000
• Density: 1.342 g/cm³
• LogP: 2.78350
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.9960930
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

(4-Chlorophenylsulfonyl)acetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl
• Uses: (4-Chlorophenylsulfonyl)acetone is an antiviral sulfonyl compound.

Technology Process of 4-Chlorophenylsulfonylacetone

There total 7 articles about 4-Chlorophenylsulfonylacetone 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: 54.0%

sodium p-chlorobenzenesulphinate (14752-66-0) + acetone (67-64-1) → 1-[(4-chlorophenyl)sulfonyl]-2-propanone (5000-48-6)

Guidance literature:

acetone; With [hydroxy(tosyloxy)iodo]benzene; In acetonitrile; for 0.666667h; Heating;

sodium p-chlorobenzenesulphinate; In water; acetonitrile; for 2h; Heating;

DOI:10.1081/SCC-100105890

Reference yield:

4-chlorobenzenesulfonyl chloride (98-60-2) + chloroacetone (78-95-5) → 1-[(4-chlorophenyl)sulfonyl]-2-propanone (5000-48-6)

Guidance literature:

4-chlorobenzenesulfonyl chloride; With water; zinc;

chloroacetone; In isopropyl alcohol;

DOI:10.1055/s-0029-1216850

Reference yield:

chloroacetone (78-95-5) + p-Chlorothiophenol (106-54-7) → 1-[(4-chlorophenyl)sulfonyl]-2-propanone (5000-48-6)

Guidance literature:

With Oxone; sodium hydroxide; Yield given. Multistep reaction; 1.) methanol, 0 deg C, 5 min, 2.) 0 deg C, 5 min;

upstream raw materials:

(p-chlorophenylthio)acetone

chloroacetone

p-Chlorothiophenol

sodium p-chlorobenzenesulphinate

Downstream raw materials:

(4-chloro-benzenesulfonyl)-methylsulfanyl-methane

4-chlorobenzenesulfinic acid

1-methylsulfanyl-1-(toluene-4-sulfonyl)-acetone

4-[(4-chlorophenyl)sulfonyl]-3-methyl-6-phenylpyridazine