Structure of 1192-16-1
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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CAS No. : | 1192-16-1 |
Formula : | C4H6O2S |
M.W : | 118.15 |
SMILES Code : | O=S1(CCC=C1)=O |
MDL No. : | MFCD00195935 |
InChI Key : | DYGJDTCGUUMUBL-UHFFFAOYSA-N |
Pubchem ID : | 14497 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H319 |
Precautionary Statements: | P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
35% | (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); In benzene; at 25℃; for 5h;Heating / reflux; | [0351] 2.3-Dihvdro-thiophene 1.1-dioxide (75); 2,5-Dihydro-thiophene 1,1-dioxide (10 g, 84.6 mmol) was dissolved in anhydrous benzene (6OmL).Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) (1.61 g,1.69 mmol) was added and the mixture was heated to reflux while stirring for 5h. Upon cooling to 25 0C, the solution was decanted away from the black solid. The solution was concentrated in vacuo to give brown oil. Purification of the residue by flash column chromatography (50-70% EtOAc/Hexanes) afforded the desired product, 2,3- dihydro-thiophene 1,1-dioxide (75) (3.51 g, 29.6 mmol, 35% yield) as a yellow/brown oil that solidified when placed under vacuum. 1H NMR (400 MHz, CDCl3) δ: 2.91 - 2.96 (m, 2H), 3.21 (t, 2H, J= 6.6 Hz), 6.62 - 6.65 (m, IH), 6.72 - 6.76 (m, IH). |