CAS 950-47-0

Phenoxathiin, 10,10-dioxide

Description:

Phenoxathiin, 10,10-dioxide, also known by its CAS number 950-47-0, is an organic compound characterized by its unique structure, which includes a phenoxathiin core with two oxygen atoms double-bonded to the sulfur atom, resulting in a dioxo derivative. This compound typically appears as a solid at room temperature and is known for its stability and relatively low solubility in water, but it may dissolve in organic solvents. Phenoxathiin derivatives are of interest in various fields, including organic chemistry and materials science, due to their potential applications in dyes, pharmaceuticals, and as intermediates in chemical synthesis. The presence of the dioxo functional groups contributes to its reactivity and ability to participate in redox reactions. Additionally, phenoxathiin compounds may exhibit interesting photophysical properties, making them candidates for use in electronic devices or as fluorescent markers. Overall, phenoxathiin, 10,10-dioxide is a compound with notable chemical characteristics that warrant further exploration in both academic and industrial contexts.

Formula: C₁₂H₈O₃S

InChI: InChI=1S/C12H8O3S/c13-16(14)11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)16/h1-8H

InChI key: InChIKey=XJLRCPYQIPAQCA-UHFFFAOYSA-N

SMILES: O=S1(=O)C=2C(OC=3C1=CC=CC3)=CC=CC2

Synonyms:

• Phenoxathiin, 10,10-dioxide
• NSC 410

Phenoxathiine 10,10-dioxide

CAS: 950-47-0

Phenoxathiine 10,10-dioxide is a diphenyl ether that has been shown to have suzuki coupling activity. It can be used as an intermediate for the synthesis of polymers. Phenoxathiine 10,10-dioxide is soluble in acidic solutions and insoluble in neutral solutions. Structural analysis has revealed that phenoxathiine 10,10-dioxide contains a carbonyl group and a hydroxyl group, which are responsible for the solubility difference. The reaction mechanism of phenoxathiine 10,10-dioxide has been studied using human liver microsomes and found that it proceeds through a nucleophilic substitution at the chlorine atom. NMR spectra indicate that phenoxathiine 10,10-doxide contains an intramolecular hydrogen bond between the carbonyl group and the hydroxyl group.

Formula: C₁₂H₈O₃S

Purity: Min. 95%

Molecular weight: 232.26 g/mol

Ref: 3D-AAA95047