Thiomorpholine-1,1-dioxide
- CAS NO.:39093-93-1
- Empirical Formula: C4H9NO2S
- Molecular Weight: 135.18
- MDL number: MFCD05861623
- EINECS: 815-944-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-14 11:12:52
What is Thiomorpholine-1,1-dioxide?
Chemical properties
light yellow solid
The Uses of Thiomorpholine-1,1-dioxide
Thiomorpholine 1,1-Dioxide is a useful building block, used in the synthetic preparation of antibacterial biaryloxazolidinone analogues, and isothiazolo-pyridine derivatives for use as cyclin G-associated kinase inhibitors and antiviral agents.
Synthesis
To a solution of tert-butylthiomorpholine-4-carboxylate (5.8 g, 0.024 mol) in dichloromethane (50 ml) was added trifluoroacetic acid (70 ml), and the resulting mixture was stirred at 25°C. 5 hours until TLC showed the reaction was complete. Concentrate under reduced pressure to obtain a mixture. Water (30 mL) was added to the mixture, the mixture was basified to pH=8.0 with aqueous ammonia solution, and the mixture was extracted three times with dichloromethane (50 mLx3). The organic extracts were combined and washed with water and brine. The organic extract was dried over anhydrous magnesium sulfate and filtered, and the filtrate was concentrated under reduced pressure to obtain Thiomorpholine 1,1-dioxide.
Properties of Thiomorpholine-1,1-dioxide
Melting point: | 0°C |
Boiling point: | 0°C |
Density | 1.239±0.06 g/cm3(Predicted) |
Flash point: | 0°C |
storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
solubility | DMSO (Slightly), Methanol (Slightly) |
form | Solid |
pka | 6.48±0.20(Predicted) |
color | White to Off-White |
InChI | InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2 |
CAS DataBase Reference | 39093-93-1(CAS DataBase Reference) |
Safety information for Thiomorpholine-1,1-dioxide
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for Thiomorpholine-1,1-dioxide
InChIKey | NDOVLWQBFFJETK-UHFFFAOYSA-N |
SMILES | N1CCS(=O)(=O)CC1 |
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