85302-01-8

Basic information

• Product Name: 4-oxo-3,4-dihydro-2,3-diazaphenoxathiin
• Synonyms: 4-oxo-3,4-dihydro-2,3-diazaphenoxathiin
• CAS NO: 85302-01-8
• Molecular Weight: 218.236
• Mol File: 85302-01-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-oxo-3,4-dihydro-2,3-diazaphenoxathiin(CAS DataBase Reference)
• NIST Chemistry Reference: 4-oxo-3,4-dihydro-2,3-diazaphenoxathiin(85302-01-8)
• EPA Substance Registry System: 4-oxo-3,4-dihydro-2,3-diazaphenoxathiin(85302-01-8)

Safety Data

• Hazardous Substances Data: 85302-01-8(Hazardous Substances Data)

Upstream product

• 932-22-9 4,5-dichloro-2H-pyridazin-3-one 
• 1121-24-0 ortho-mercaptophenol 

Relevant articles and documents

Chemistry of Phenoxathiins and Isosterically Related Heterocycles. XXIV. Synthesis and Characterization by 13C-NMR Spectroscopy of Isomeric Benzoxathiinopyridazinones: 1-Oxo-1,2-dihydro-2,3-diazaphenoxathiin and 4-Oxo-3,4-dihydro-diazaphenoxathiin. The First Observation of a Smiles ...

Condensation of a disodium salt of o-mercaptophenol with 4,5-dichloro-6(1H)-pyridazinone in N,N-dimethylformamide has been observed to lead to the formation of both possible isomeric benzoxathiinopyridazinones.The separation of these isomers, 1-oxo-1,2-dihydro-2,3-diazaphenoxathiin and 4-oxo-3,4--dihydro-2,3-diazaphenoxathiin and their characterization by 13C-nmr spectroscopy is described.Mechanisms to account for the formation of both isomers are discussed, the most probable mechanism involving a Smiles rearrangement of the phenolate sulfide intermediate formed by the initial displacement of the 4-chloro substituent, providing a specie analogous to a β-halovinylogous ketone.