19446-96-9

Basic information

• Product Name: 1,1-DIOXO-1LAMBDA*6*-THIOCHROMAN-4-ONE
• Synonyms: 2,3-Dihydro-4H-1-benzothiopyran-4-one 1,1-dioxide;Thiochroman-4-one 1,1-dioxide;1,1-DIOXO-1LAMBDA6-THIOCHROMAN-4-ONE(WX142278)
• CAS NO: 19446-96-9
• Molecular Formula: C₉H₈O₃S
• Molecular Weight: 196.22
• Mol File: 19446-96-9.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 432.2°Cat760mmHg
• Flash Point: 294.1°C
• Appearance: /
• Density: 1.408g/cm³
• Vapor Pressure: 1.13E-07mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: 1,1-DIOXO-1LAMBDA*6*-THIOCHROMAN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-DIOXO-1LAMBDA*6*-THIOCHROMAN-4-ONE(19446-96-9)
• EPA Substance Registry System: 1,1-DIOXO-1LAMBDA*6*-THIOCHROMAN-4-ONE(19446-96-9)

Safety Data

• Hazardous Substances Data: 19446-96-9(Hazardous Substances Data)

Usage

General Description

1,1-Dioxo-1lambda*6*-thiochroman-4-one is a chemical compound with the molecular formula C9H6O3S. It is a six-membered cyclic compound with a sulfur atom and a ketone functional group. 1,1-DIOXO-1LAMBDA*6*-THIOCHROMAN-4-ONE is a heterocyclic aromatic compound and is known for its potential pharmacological activities, particularly in the field of medicinal chemistry. It is also used in various organic synthesis reactions as a building block for the preparation of diverse organic compounds. The compound is known for its unique and versatile chemical properties, making it an important molecule in chemical and pharmaceutical industries.

InChI:InChI=1/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2

Upstream product

• 22810-27-1 1-thiochromone 1,1-dioxide 
• 3528-17-4 2,3-dihydro-4H-[1]benzothiopyran-4-one 
• 503-17-3 dimethylacetylene 
• 94445-47-3 4-trimethylsilyloxy-3-thiochromene 1,1-dioxide 
• 590-18-1 (Z)-2-Butene 
• 558-37-2 tert-butylethylene 
• 760-21-4 2-ethyl-1-butene 
• 624-64-6 trans-2-Butene 
• 109-67-1 1-penten 
• 108-94-1 cyclohexanone 
• 115-11-7 isobutene 
• 110-83-8 cyclohexene 
• 142-29-0 cyclopentene 

Downstream Products

• 7711-96-8 1,1-dioxo-1λ⁶-thiochroman-4-one phenylhydrazone 
• 114426-23-2 1,1-dioxo-1λ⁶-thiochroman-4-one oxime 
• 27720-87-2 3-bromothiochromanone 1,1-dioxide 
• 101318-77-8 11-benzyl-5,5-dioxo-6,11-dihydro-5H-5λ⁶-thiochromeno[4,3-b]indole-8-carboxylic acid ethyl ester 
• 106386-49-6 11-benzyl-6,11-dihydro-thiochromeno[4,3-b]indole 5,5-dioxide 
• 91126-20-4 3,5-Dioxo-4-(4-tolyl)-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-13-5 4-(2-Chlorphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-19-1 3,5-Dioxo-4-(4-nitrophenyl)-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-21-5 3,5-Dioxo-4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-17-9 3,5-Dioxo-4-(2-fluorphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-15-7 4-(3,4-Dichlorphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-16-8 4-(4-Chlor-3-nitrophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 91126-18-0 3,5-Dioxo-4-(3-fluorphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-1,1-dioxid 
• 74695-55-9 2,3-dibromothiochromone 1,1-dioxide 

Relevant articles and documents

COMPOSITES, METHODS AND USES THEREOF

The present invention relates, in general terms, to methods of catalysing a reaction, including the steps of contacting a chemical entity comprising a sulphide moiety with a composite and an oxidant. The composite acts as a heterogeneous catalyst to oxidise the sulphide moiety. The present invention also relates to composites, methods of synthesising the composites and its use as a catalyst thereof.

Cobalt Single-Atom-Intercalated Molybdenum Disulfide for Sulfide Oxidation with Exceptional Chemoselectivity

The identification of chemoselective oxidation process en route to fine chemicals and specialty chemicals is a long-standing pursuit in chemical synthesis. A vertically structured, cobalt single atom-intercalated molybdenum disulfide catalyst (Co1-in-MoS2) is developed for the chemoselective transformation of sulfides to sulfone derivatives. The single-atom encapsulation alters the electron structure of catalyst owing to confinement effect and strong metal–substrate interaction, thus enhancing adsorption of sulfides and chemoselective oxidation at the edge sites of MoS2 to achieve excellent yields of up to 99% for 34 examples. The synthetic scopes can be extended to sulfide-bearing alkenes, alkynes, aldehydes, ketones, boronic esters, and amines derivatives as a toolbox for the synthesis of high-value, multifunctional sulfones and late-stage functionalization of pharmaceuticals, e.g., Tamiflu. The synthetic utility of cobalt single atom-intercalated MoS2, together with its reusability, scalability, and simplified purification process, renders it promising for industrial productions.

Highly atom-economic, catalyst- and solvent-free oxidation of sulfides into sulfones using 30% aqueous H2O2

Highly atom-efficient oxidation of sulfides into sulfones under solvent- and catalyst-free reaction conditions using a 30% aqueous solution of H 2O2 at 75 °C is reported. A structurally diverse set of phenyl alkyl-, phenyl benzyl-, benzyl alkyl-, dialkyl-, heteroaryl alkyl- and cyclic sulfides were transformed into sulfones regardless of the aggregate state and electronic nature of the substituents. In spite of the heterogeneous reaction mixtures throughout the work, no difficulties with stirring and reaction progress were noted. In numerous cases, only 10 mol% excess of H 2O2 was used, thus contributing considerably to the high atom economy of the process. Some solid substrates required a variable excess of hydrogen peroxide; however, the reactions were performed strictly without organic solvents. The transformation was demonstrated to be amenable for scale-up with both liquid and solid sulfides. In addition, isolation and purification of the crude products can be simply done with only filtration and crystallization.