5-Methyl-3-(2-pyridinyl)-2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide(CAS: 90101-16-9)
![5-Methyl-3-(2-pyridinyl)-2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide 5-Methyl-3-(2-pyridinyl)-2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide](https://static.chemtradehub.com/structs/901/90101-16-9-003f.webp)
CAS Number
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Basic Information
Molecular Formula
C16H11N3O5S
Molecular Weight
357.35 g/mol
Physical Properties
Melting Point
259-261°
Boiling Point
554.7°C at 760 mmHg
Chemical Identifiers
SMILES
CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=O)N(C2=O)C4=CC=CC=N4
InChIKey
OEHFRZLKGRKFAS-UHFFFAOYSA-N
Database References
MDL Number
MFCD00866032
FAQ
The compound has a crystalline form and a molecular weight of approximately 456.3 g/mol. It is poorly soluble in water but soluble in organic solvents like dimethyl sulfoxide (DMSO) and dimethylformamide (DMF). It exhibits low reactivity under normal conditions but can undergo hydrolysis in strong acidic or basic environments. It is stable at room temperature but may decompose upon heating above 200°C.
This compound can be synthesized via a multi-step process involving the reaction of 2-pyridone with methyl 2-bromobenzothiazole-4-carboxylate followed by a condensation reaction. The synthesis typically uses AlCl3 as a catalyst, and the product is obtained with a yield of around 75%. The reaction is selective and proceeds under mild conditions.
This compound is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry for the development of novel materials and in the semiconductor industry as a dopant for certain compounds. Additionally, it can be used in sensor technology for detecting specific chemical compounds.
Handle with personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid exposure to vapors. Store in a cool, dry place away from direct sunlight. In case of spill, neutralize with a suitable material and dispose of in accordance with local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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