5000-48-6

Basic information

• Product Name: 4-CHLOROPHENYLSULFONYLACETONE
• Synonyms: (4-Chlorophenylsulphonyl)acetone;(4-Chlorobenzenesulphonyl)acetone,97%;4-Chlorobenzenesulphonyl acetone 98%;4-CHLOROBENZENESULFONYLPROPAN-2-ONE;4-CHLOROPHENYLSULFONYLACETONE, 98+%;1-(4-Chlorophenylsulfonyl)propane-2-one;1-[(4-Chlorophenyl)sulfonyl]-2-propanone;1-((4-Chlorophenyl)sulfonyl)propan-2-one
• CAS NO: 5000-48-6
• Molecular Formula: C₉H₉ClO₃S
• Molecular Weight: 232.68
• Mol File: 5000-48-6.mol

Chemical Properties

• Melting Point: 89-91 °C
• Boiling Point: 396.2 °C at 760 mmHg
• Flash Point: 193.4 °C
• Appearance: Off-white crystalline powder
• Density: 1.342 g/cm³
• Vapor Pressure: 1.74E-06mmHg at 25°C
• Refractive Index: 1.54
• BRN: 2051464
• CAS DataBase Reference: 4-CHLOROPHENYLSULFONYLACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLOROPHENYLSULFONYLACETONE(5000-48-6)
• EPA Substance Registry System: 4-CHLOROPHENYLSULFONYLACETONE(5000-48-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26
• Hazardous Substances Data: 5000-48-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-CHLOROPHENYLSULFONYLACETONE is used as an antiviral agent for its ability to inhibit viral replication and activity. It is particularly effective against a range of viruses, making it a valuable compound in the development of antiviral medications and treatments.
Used in Chemical Research:
In the field of chemical research, 4-CHLOROPHENYLSULFONYLACETONE serves as an important intermediate compound in the synthesis of various pharmaceuticals and other specialty chemicals. Its unique structure allows for further modification and functionalization, leading to the creation of new molecules with specific applications.
Used in Material Science:
4-CHLOROPHENYLSULFONYLACETONE can be utilized in the development of novel materials with enhanced properties, such as improved stability, durability, or biocompatibility. Its integration into material formulations can lead to the creation of advanced materials for various applications, including medical devices, coatings, and adhesives.
Used in Agrochemical Industry:
In the agrochemical industry, 4-CHLOROPHENYLSULFONYLACETONE may be employed as a component in the development of new pesticides or herbicides. Its antiviral properties could potentially be harnessed to control the spread of plant viruses, thereby improving crop yields and protecting agricultural resources.
Overall, 4-CHLOROPHENYLSULFONYLACETONE is a versatile compound with a wide range of applications across different industries, primarily due to its antiviral properties and its potential use as a key intermediate in the synthesis of various chemicals and materials.

InChI:InChI=1/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

Upstream product

• 25784-83-2 (p-chlorophenylthio)acetone 
• 78-95-5 chloroacetone 
• 106-54-7 p-Chlorothiophenol 
• 98-60-2 4-chlorobenzenesulfonyl chloride 
• 14752-66-0 sodium p-chlorobenzenesulphinate 
• 67-64-1 acetone 
• 598-31-2 1-bromoacetone 

Downstream Products

• 68342-43-8 (Z)-2,4-Bis-(4-chloro-benzenesulfonyl)-5-oxo-hex-2-enenitrile 
• 32083-35-5 3-(4-chlorophenylsulfonyl)-4-ethoxybut-3-en-2-one 
• 60416-89-9 (4-chloro-benzenesulfonyl)-methylsulfanyl-methane 
• 100-03-8 4-chlorobenzenesulfinic acid 
• 856343-92-5 1-methylsulfanyl-1-(toluene-4-sulfonyl)-acetone 
• 57641-45-9 1,3-bis-(4-chloro-benzenesulfonyl)-acetone 
• 861380-86-1 1-(4-chloro-benzenesulfonyl)-3-(toluene-4-sulfonyl)-acetone 
• 1047974-38-8 1-(4-chlorophenylsulfonyl)-4-hydroxy-4-phenylbutan-2-one 
• 1609944-99-1 1-benzyl-3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one 
• 1609944-98-0 4,7-dichloro-3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one 
• 1609944-97-9 3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one 
• 1609944-96-8 3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-5-methyl-1,3-dihydro-2H-indol-2-one 
• 1609944-95-7 3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-5-iodo-1,3-dihydro-2H-indol-2-one 
• 1609944-94-6 5-chloro-3-{3-[(4-chlorophenyl)sulfonyl]-2-oxopropyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one 

Relevant articles and documents

Facile One-Pot Access to α-Diazo-β-ketosulfones from Sulfonyl Chlorides and α-Haloketones

A convenient one-pot approach to the preparation of α-diazo-β-ketosulfones from sulfonyl chlorides is described. It involves the conversion of the sulfonyl chloride to sodium sulfinate, alkylation of the latter with α-haloketones followed by diazo transfer using the 'sulfonyl-azide-free' ('SAFE') protocol in aqueous medium. The simple and expedient method relies on readily available starting materials and provides facile access to a wide variety of valuable diazo reagents for organic synthesis.

Copper-Catalyzed Oxidative Reaction of β-Keto Sulfones with Alcohols via C?S Bond Cleavage: Reaction Development and Mechanism Study

A Cu-catalyzed cascade oxidative radical process of β-keto sulfones with alcohols has been achieved by using oxygen as an oxidant. In this reaction, β-keto sulfones were converted into sulfinate esters under the oxidative conditions via cleavage of C?S bond. Experimental and computational studies demonstrate that a new pathway is involved in this reaction, which proceeds through the formation of the key four-coordinated CuII intermediate, O?O bond homolysis induced C?S bond cleavage and Cu-catalyzed esterification to form the final products. This reaction provides a new strategy to sulfonate esters and enriches the research content of C?S bond cleavage and transformations.

(Arylsulfonyl)acetones and -acetonitriles: New activated methylenic building blocks for synthesis of 1,2,3-triazoles

β-Keto sulfones and b-nitrile sulfones were used as building blocks for 1,2,3-triazole synthesis in the Dimroth cyclization. It was shown, that sulfone reagents undergo base-catalyzed cyclization under mild conditions (at room temperature) to give 1,2,3-triazoles in moderate to excellent yields. This fact has confirmed the high nucleophilicity of sulfonylmethylenic compounds and allows new synthetic applications. Georg Thieme Verlag Stuttgart.

Hypervalent iodine in synthesis. 66. One pot preparation of β-keto sulfones by reaction of ketones, [hydroxy(tosyloxy) iodo] benzene, and sodium sulfinates

One pot reactions of ketones, [hydroxy(tosyloxy)iodo] benzene and sodium sulfinates lead to the formation of the corresponding β-keto sulfones under mild conditions and in good yield.

RAPID AMD LARGE-SCALE SYNTHESIS OF SULFONYL-SUBSTITUTED PROPANONES

A one-pot, large-scale, and rapid (10-20 minutes) synthesis of sulfonyl-substituted propanone has been developed.The synthesis, starting with a thiol, chloroacetone, and OXONE, can easily be monitored with the use of a pH indicator.