5000-44-2

Basic information

• Product Name: BENZENESULFONYLACETONE
• Synonyms: 1-(PHENYLSULFONYL)ACETONE;AKOS BC-3142;BENZENESULPHONYLACETONE;BENZENESULFONYLACETONE;PHENYLSULFONYLACETONE;(PHENYLSULPHONYL)ACETONE;Benzenesulfonylacetone,97%;(benesulphonylacetone)
• CAS NO: 5000-44-2
• Molecular Formula: C₉H₁₀O₃S
• Molecular Weight: 198.24
• Product Categories: Benzene series;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfones;Sulfur Compounds
• Mol File: 5000-44-2.mol
• Article Data: 38

Chemical Properties

• Melting Point: 55-59 °C(lit.)
• Boiling Point: 371.7 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: light yellow crystalline powder
• Density: 1.228 g/cm³
• Vapor Pressure: 1.02E-05mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: Store below +30°C.
• BRN: 640928
• CAS DataBase Reference: BENZENESULFONYLACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: BENZENESULFONYLACETONE(5000-44-2)
• EPA Substance Registry System: BENZENESULFONYLACETONE(5000-44-2)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 5000-44-2(Hazardous Substances Data)

Usage

Chemical Properties

light yellow crystalline powder

Uses

Phenylsulfonylacetone may be used in the synthesis of 2,3,5-trisubstituted furans.

General Description

Phenylsulfonylacetone is an active methylene compound. It undergoes asymmetric reduction in the presence of fermenting bakers′ yeast to afford (S)-(+)-2-hydroxypropyl phenyl suIfone.

InChI:InChI=1/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

Upstream product

• 3112-85-4 methylphenylsulfonate 
• 141-78-6 ethyl acetate 
• 7148-07-4 1-pyrrolidinocyclopent-1-ene 
• 2525-42-0 phenylsulfonylpropa-1,2-diene 
• 16675-55-1 1,2,5,6-tetrahydro-1-methyl-4-pyrrolidinopyridine 
• 5042-53-5 1-(phenylsulfanyl)acetone 
• 873-55-2 sodium benzenesulfonate 
• 598-31-2 1-bromoacetone 
• 7647-01-0 hydrogenchloride 
• 67-64-1 acetone 
• 78-95-5 chloroacetone 
• 98-09-9 benzenesulfonyl chloride 
• 515-42-4 sodium phenylsulfonate 
• 590-93-2 2-Butynoic acid 

Downstream Products

• 15296-86-3 1-(phenylsulfanyl)methyl phenyl sulfone 
• 858835-74-2 1-benzenesulfonyl-1-methylsulfanyl-acetone 
• 119698-13-4 bis-(1-benzenesulfonyl-acetonyl)-dibutyl stannane 
• 343348-18-5 benzenesulfonyl-acetone oxime 
• 60156-13-0 1-Bromo-3-phenylsulfonyl-propan-2-one 
• 859074-96-7 1-benzenesulfonyl-1-p-tolylsulfanyl-acetone 
• 67-63-0 isopropyl alcohol 
• 618-41-7 Benzenesulfinic acid 
• 98-11-3 benzenesulfonic acid 
• 104869-93-4 3-phenylsulfonyl-2-nonanone 
• 155259-49-7 1-phenylsulfonyl-4-hydroxy-pentan-2-one 
• 91157-81-2 4-(Dimethylamino)-3-(phenylsulfonyl)-3-buten-2-one 
• 75251-40-0 2-Methyl-2-phenylamino-3-(phenylsulfonyl)propannitril 
• 29360-63-2 [4-((Z)-2-Benzenesulfonyl-3-oxo-but-1-enyl)-2,3-dichloro-phenoxy]-acetic acid 

Relevant articles and documents

Iron(II)-induced degradation of antimalarial β-sulfonyl endoperoxides. Evidence for the generation of potentially cytotoxic carbocations

Reactions of antimalarial β-sulfonyl endoperoxides 9 and 10, which, like yingzhaosu A (2), derive from the 2,3-dioxabicyclo[3.3.1]nonane system 3, with iron(II) salts were studied. Product analysis of the iron(II)-induced degradations provided evidence fo

Iron-Catalyzed, Site-Selective Difluoromethylthiolation (-SCF2H) and Difluoromethylselenation (-SeCF2H) of Unactivated C(sp3)-H Bonds in N-Fluoroamides

The iron-catalyzed δ-C(sp3)-H bond difluoromethylthiolation and difluoromethylselenation of aliphatic amides with high site selectivity are reported. Essential to the success is the employment of an amide radical formed in situ to activate the inert C(sp3

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.

General [4 + 1] Cyclization Approach to Access 2,2-Disubstituted Tetrahydrofurans Enabled by Electrophilic Bifunctional Peroxides

A general [4 + 1] cyclization reaction of carbonyl nucleophiles with 2-iodomethylallyl peroxides, which function as unique electrophilic oxygen synthons, for the synthesis of a broad range of 2,2-disubstituted tetrahydrofurans is achieved under operationally simple conditions. The unprecedented asymmetric version of such reaction is also realized via chiral auxiliary-assisted cyclization, thus providing a distinct approach to access chiral tetrahydrofurans with high diastereoselectivities. The new method can be applied to the synthesis of core structure of posaconazole drug.