51500-42-6

Basic information

• Product Name: 1-Benzothiophene 1-oxide
• Synonyms: benzo[b]thiophene s-oxide;Benzo[b]thiophene 1-oxide;BENZOTHIOPHENE SULFOXIDE;1-Benzothiophene 1-oxide
• CAS NO: 51500-42-6
• Molecular Formula: C₈H₆OS
• Molecular Weight: 150.2
• Product Categories: Pharmaceutical Intermediates
• Mol File: 51500-42-6.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 496.8 oCat760mmHg
• Flash Point: 254.2 oC
• Appearance: /
• Density: 1.45g/cm³
• Refractive Index: 1.686
• CAS DataBase Reference: 1-Benzothiophene 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzothiophene 1-oxide(51500-42-6)
• EPA Substance Registry System: 1-Benzothiophene 1-oxide(51500-42-6)

Safety Data

• Hazardous Substances Data: 51500-42-6(Hazardous Substances Data)

Usage

General Description

1-Benzothiophene 1-oxide, also known as benzothiophene-oxide, is a chemical compound with the molecular formula C8H6OS. It is a derivative of benzothiophene, which is a heterocyclic compound containing both sulfur and carbon atoms in the ring. The addition of the oxygen atom forms an oxide group, resulting in the creation of 1-benzothiophene 1-oxide. 1-Benzothiophene 1-oxide is commonly used as a building block in organic synthesis and pharmaceutical research. It has also been studied for its potential applications in the development of advanced materials and in drug discovery. As a heterocyclic compound, 1-benzothiophene 1-oxide exhibits interesting chemical and physical properties, making it a valuable and versatile molecule in various scientific and industrial fields.

InChI:InChI=1/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H

Upstream product

• 95-15-8 Benzo[b]thiophene 

Relevant articles and documents

Deep oxidation desulfurization with a new imidazole-type acidic ionic liquid polymer

A new solid acidic ionic liquid polymer (PIL) has been synthesized through the copolymerization of acidic ionic liquid oligomers and divinylbenzene (DVB). Its oxidation activities were investigated through oxidizing benzothiophene. The results showed that the PIL was very efficient for oxidizing benzothiophene with its oxidation capacity reaching 95.5% at 323 K for 20 min. The oxidation activities were quite high so that the reactions can occur simultaneously under very mild conditions. The PIL exhibits the advantages of high activities and high stability.

Polyoxometalate-Based Organic-Inorganic Hybrids as Heterogeneous Catalysts for Cycloaddition of CO2with Epoxides and Oxidative Desulfurization Reactions

Self-assembly of polyoxometalates, transition metal salts, and 2,6-bis(2′-pyridyl)-4-hydroxypyridine (LOH) obtained four organic-inorganic hybrids [Co2.5(LOH)(LO)2(H2O)2(PW12O39)]·3CH3CN·2OH (1), [Zn1.5(LOH)3]·(PMo12O40)·CH3OH·2H2O (2), [Cd1.5(LOH)3]·(PW12O40)·2CH3OH·1.5H2O (3), and [Mn(LOH)2]·(PW12O40)·2CH3CN·H3O (4). Hybrid 1 exhibits an extended chain, which could be further connected into a 3D supramolecular architecture by H-bonds. Hybrids 2-4 feature monomolecular structures, which are further bridged via H-bonds to yield charming 3D supramolecular structures. Noteworthy, 1 and 2 can be employed as recyclable and highly efficient heterogeneous catalysts. The activated 1 displays a high catalytic activity for the cycloaddition reaction of CO2 and epoxides. Hybrid 2 exhibits an excellent catalytic performance for the oxidative desulfurization reaction.

Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts

Self-assembly of polyoxometalates, Ni(ii)/Ag(i) cations and tetra-[5-(mercapto)-1-methyltetrazole]-thiacalix[4]arene (L) yielded three inorganic-organic hybrids, namely, [Ni3L2(CH3OH)6(H2O)4][PMo12O40]2·3CH3OH·2H2O (1), [Ni3L2(CH3OH)6(H2O)4][PW12O40]2·3CH3OH·2H2O (2) and [Ag3L(PMo12O40)] (3). In hybrids (1) and (2), Ni(ii) cations are linked by L ligands to produce layered frameworks, and H bonds among the [PMo12O40]3?/[PW12O40]3?anions and L ligands lengthen the structures to form 3D supramolecular architectures. Hybrid (3) exhibits a 3D architecture, of which Ag(i) cations not only coordinated with the N and O atoms of L ligands and [PMo12O40]3?anions simultaneously, but also connected each other by Ag-Ag interactions. It is worth mentioning that1and3as recyclable catalysts show excellent heterogeneous catalytic activity in oxidation desulfurization reactions.

Heterogeneous catalysis with an organic-inorganic hybrid based on MoO3chains decorated with 2,2′-biimidazole ligands

The discovery of selective heterogeneous catalytic systems for industrial oxidation processes remains a challenge. Molybdenum oxide-based polymeric hybrid materials have been shown to be oxidation catalysts under mild reaction conditions, although difficulties remain with catalyst recovery/reuse since most perform as homogeneous catalysts or possess low activity. The present study shows that the hybrid material [MoO3(2,2′-biimidazole)]·H2O (1) is a superior catalyst regarding these issues. The structure of1was confirmed (by single crystal and synchrotron X-ray powder diffraction) to comprise one-dimensional chains of corner-sharing {MoO4N2} octahedra. Strong MoO?H-N hydrogen bonds separate adjacent chains to afford parallel channels that are occupied by disordered water molecules. Hybrid1was additionally characterised by FT-IR spectroscopy,1H and13C MAS NMR, scanning electron microscopy and thermogravimetric analysis. The catalytic studies highlighted the versatility of1for oxidation reactions withtert-butylhydroperoxide as oxidant. By complementing with characterisation studies, it was verified that the reaction occurs in the heterogeneous phase, the catalyst has good stability and is recoverableviasimple procedures. The chemical reaction scope covered epoxidation and sulfoxidation, and the substrate scope included biomass-deriveddl-limonene and fatty acid methyl esters to give renewable bio-products, as well as thiophene and thioanisole substrates.