Thiomorpholine-1,1-dioxide
Thiomorpholine-1,1-dioxide
CAS: 39093-93-1
Molecular Formula: C4H9NO2S
Thiomorpholine-1,1-dioxide - Names and Identifiers
| Name | Thiomorpholine-1,1-dioxide |
| Synonyms | TIMTEC-BB SBB010267 THIOMORPHOLINE DIOXIDE 1,1-DIOXOTHIOMORPHOLINE thiomorpholine-2,6-dione Thiomorpholine-1,1-oxide ThioMorpholine-1,1-dioxid Thiomorpholine-1,1-dioxide Thiomorpholine 1,1-Dioxide THIOMORPHOLINE 1,1-DIOXIDE thiomorpholine, 1,1-dioxide 1,1-DIOXIDE-4-THIOMORPHOLINE |
| CAS | 39093-93-1 |
| EINECS | 815-944-6 |
| InChI | InChI=1/C4H5NO2S/c6-3-1-5-2-4(7)8-3/h5H,1-2H2 |
Thiomorpholine-1,1-dioxide - Physico-chemical Properties
| Molecular Formula | C4H9NO2S |
| Molar Mass | 135.18 |
| Density | 1.239±0.06 g/cm3(Predicted) |
| Melting Point | 0°C |
| Boling Point | 0°C |
| Flash Point | 0°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.413mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | 6.48±0.20(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.549 |
Thiomorpholine-1,1-dioxide - Risk and Safety
| Hazard Symbols | Xi - Irritant |
Thiomorpholine-1,1-dioxide - Reference Information
| introduction | thiomorpholine-1, 1-dioxide is a white or gray solid at room temperature and pressure. thiomorpholine-1, 1-dioxide is a nitrogen heterocyclic compound and can be used as a synthetic intermediate for drug molecules. |
| Uses | Thiomorpholine-1, 1-dioxide can be used as an intermediate in pharmaceutical chemistry and organic synthesis, and has certain applications in the synthesis of some bioactive molecules such as antibacterial reagents. In the synthetic transformation, the nitrogen atom in the structure still has a certain nucleophilicity, and can attack halogenated alkanes for alkylation, or acylation. |
| Synthesis method | To thiomorpholin-4-carboxylic acid tert-butyl ester (5.8g, 0.024 mol) in dichloromethane (50 ml) Add trifluoroacetic acid (70 ml) to the solution, and stir the obtained mixture at 25 degrees for 5 hours until TLC shows that the reaction is complete. Concentrate the resulting mixture under reduced pressure, add water (30 ml) to the mixture, alkalize the mixture to PH = 8.0 with an aqueous ammonia solution, and extract the mixture three times with dichloromethane (50 mL x 3). Combine the organic extracts and wash the organic extracts with water and salt water. The organic extract was dried on anhydrous magnesium sulfate and filtered, and the filtrate was concentrated under reduced pressure to obtain thiomorpholine-1, 1-dioxide. Figure The synthesis route of thiomorpholin-1, 1-dioxide |
Last Update：2024-04-10 22:29:15
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