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[ CAS No. 77-79-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 77-79-2
Chemical Structure| 77-79-2
Structure of 77-79-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 77-79-2 ]

Related Doc. of [ 77-79-2 ]

Alternatived Products of [ 77-79-2 ]
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Product Details of [ 77-79-2 ]

CAS No. :77-79-2 MDL No. :MFCD00005481
Formula : C4H6O2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :MBDNRNMVTZADMQ-UHFFFAOYSA-N
M.W : 118.15 Pubchem ID :6498
Synonyms :

Safety of [ 77-79-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P270-P273-P280-P305+P351+P338-P310-P403-P501 UN#:3335
Hazard Statements:H303-H318-H410 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 77-79-2 ]

* 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.

  • Downstream synthetic route of [ 77-79-2 ]

[ 77-79-2 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 77-79-2 ]
  • [ 126-33-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogen;Raney nickel; In water; at 35℃; under 7500.75 Torr; for 1.3h;Product distribution / selectivity; An amount of 0.186 g (1.0 mmol) of ferrocene was fed into a 500-mL stainless autoclave equipped with a stirrer, a thermometer, a pressure gauge, and a heater. Then, 77 g of sulfur dioxide was charged therein. Next, the autoclave was heated to 100C and 54 g (1.0 mol) of 1, 3-butadiene was injected thereto at a rate of 0.38 g/min using a pump. The mixture was stirred for one hour at 100C. During the stirring, the pressure inside the autoclave was 2.7 to 0.7 MPa. After the pressure inside the autoclave was discharged, 150 g of water was added and the autoclave was cooled to 60C. The autoclave contents were filtered through a filter paper to give a 3-sulfolene aqueous solution. The amount of 3-sulfolene in the obtained aqueous solution was measured using liquid chromatography and the measurement was 103 g (0.87 mol). The yield from 1,3-butadiene was 87%. It is to be noted that polymers were not found on the filter paper used in filtering. All of the obtained 3-sulfolene aqueous solution was fed into a 500-ml conical flask and 70 g of water was added thereto. The solution was warmed to 35C and bubbled with air at a rate of 100 ml/min for one hour. In this manner, sulfur dioxide dissolved in the 3-sulfolene aqueous solution was removed. The concentration of sulfur dioxide in the 3-sulfolene aqueous solution was measured using ion chromatography and the measurement was 31 ppm. Next, 200 g of the obtained 3-sulfolene aqueous solution (3-sulfolene content of 64 g (0.54 mol)) and 1.04 g (0.52 g of pure nickel) of Raney nickel (water content of 50%) were fed into a 500-mL stainless autoclave equipped with a stirrer, a thermometer, a pressure gauge, and a heater. The temperature inside the autoclave was maintained at 35C. Hydrogen was introduced into the autoclave until the pressure gauge read 1.0 MPa. The reaction was initiated while the mixture was stirred at 1000 rpm. Hydrogen was consumed in the hydrogenation reaction and was additionally supplied, when the reading by the pressure gauge lowered to 0.9 MPa, to pressurize to 1.0 MPa. This operation was repeated until the pressure stopped lowering, at which the reaction was determined to be completed. As a result, the reaction time from the start to the completion of the reaction was 78 minutes. After the reaction completed, the reaction rate of hydrogenation was measured using gas chromatography. The measurement clarified that 3-sulfolene was vanished and the reaction was 100% progressed. Table 1 shows the measurements of the amount of generated polymers and the reaction time of hydrogenation.
  • 2
  • [ 77-79-2 ]
  • [ 1192-16-1 ]
YieldReaction ConditionsOperation 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).
  • 3
  • [ 77-79-2 ]
  • [ 1193-54-0 ]
  • [ 2988-66-1 ]
  • 4
  • [ 77-79-2 ]
  • [ 355-80-6 ]
  • [ 1192-16-1 ]
  • [ 59048-70-3 ]
  • 6
  • [ 77-79-2 ]
  • [ 1192-16-1 ]
  • [ 6338-70-1 ]
  • Bis-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-amine [ No CAS ]
  • 3-sulfolanylammonium 3-sulfolanesulfonate [ No CAS ]
  • 7
  • [ 53336-42-8 ]
  • [ 27092-46-2 ]
  • [ 77-79-2 ]
  • [ 1192-16-1 ]
  • 8
  • [ 53336-42-8 ]
  • t-Bu2CuLi [ No CAS ]
  • [ 77-79-2 ]
  • [ 1192-16-1 ]
  • [ 108919-90-0 ]
  • [ 57278-92-9 ]
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Technical Information

Historical Records

Related Functional Groups of
[ 77-79-2 ]

Sulfones

Chemical Structure| 16215-14-8

[ 16215-14-8 ]

3-(Methylsulfonyl)prop-1-ene

Similarity: 0.85

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