77123-91-2

Basic information

• Product Name: DIBENZO[1,2]OXATHIIN 6-OXIDE
• Synonyms: DIBENZO[C,E][1,2]OXATHIINE 6-OXIDE;DIBENZO[1,2]OXATHIIN 6-OXIDE;Dibenz[c,e][1,2]oxathiin, 6-oxide;Biphenylene sultone;Dibenzo[c,e][1,2]oxathiin-6-oxide
• CAS NO: 77123-91-2
• Molecular Formula: C₁₂H₈O₂S
• Molecular Weight: 216.26
• Mol File: 77123-91-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 89-90 °C
• Boiling Point: 442.2 °C at 760 mmHg
• Flash Point: 221.2 °C
• Appearance: /
• Density: 1.46 g/cm³
• Vapor Pressure: 1.33E-07mmHg at 25°C
• Refractive Index: 1.748
• CAS DataBase Reference: DIBENZO[1,2]OXATHIIN 6-OXIDE(CAS DataBase Reference)
• NIST Chemistry Reference: DIBENZO[1,2]OXATHIIN 6-OXIDE(77123-91-2)
• EPA Substance Registry System: DIBENZO[1,2]OXATHIIN 6-OXIDE(77123-91-2)

Safety Data

• Hazardous Substances Data: 77123-91-2(Hazardous Substances Data)

Usage

General Description

Dibenzoxathiin 6-oxide is a chemical compound that belongs to the dibenzoxathiin class of organic compounds. It is a heterocyclic aromatic compound, containing a central oxathiin ring with two benzene rings fused to it. DIBENZO[1,2]OXATHIIN 6-OXIDE has potential biological properties and has been studied for its potential as an antitumor and anti-inflammatory agent. It has also been used in the synthesis of pharmaceuticals and as a building block for the production of other organic compounds. Dibenzoxathiin 6-oxide is a valuable chemical for medicinal and synthetic chemistry research due to its unique structure and potential biological activities.

InChI:InChI=1/C12H8O2S/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H

Upstream product

• 1013-23-6 Dibenzothiophene sulfoxide 
• 1016-05-3 dibenzothiophene sulfone 

Downstream Products

• 1806-29-7 2,2'-dihydroxybiphenyl 
• 90-43-7 2-Phenylphenol 
• 132-64-9 dibenzofuran 
• 132-65-0 dibenzothiophene 
• 1016-05-3 dibenzothiophene sulfone 

Relevant articles and documents

Unique Thia-Baeyer–Villiger-Type Oxidation of Dibenzothiophene Sulfoxides Derivatives

The present research has demonstrated that selective C?S bond cleavages of dibenzothiophene and its derivatives are feasible by thia-Baeyer–Villiger type oxidation, i. e. the oxygen insertion process within a sulfoxide-carbon linkage, in the presence of porphyrin iron (III) and by ultraviolet irradiation originating from sunlight, high pressure Hg-lamp or residentially germicidal ultraviolet lamp under very mild conditions. This reaction with tert-butylhydroperoxide at 30.0 °C leads to dibenzo[1,2]oxathiin-6-oxide (PBS) in 83.2 % isolated yield or its hydrated products, 2-(2-hydroxyphenyl)-benzenesulfinic derivatives (HPBS) in near 100 % yield based HPLC data. PBS and HPBS are a type of biological products detected on the C?S bond cleavage step through various oxidative biodesulfurization (OBDS) pathways, and are useful synthetic intermediates and fine chemicals. These observations may contribute on understanding delicately molecular aspect of OBDS in the photosynthesis system, expanding the C-S cleavage chemistry of S-heterocyclic compounds and approaching toward biomemic desulfurization with respect to converting sulfur contaminants to chemically beneficial blocks as needed and performing under the ambient conditions.