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HomeProduct name listThiomorpholine-1,1-dioxide

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
Thiomorpholine-1,1-dioxide Structural

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)
ghs
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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