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| CAS No.: | 594-43-4 |
|---|---|
| Name: | ETHYL METHYL SULFONE |
| Article Data: | 48 |
| Molecular Structure: | |
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| Formula: | C3H8O2S |
| Molecular Weight: | 108.161 |
| Synonyms: | Sulfone,ethyl methyl (6CI,7CI,8CI);Ethyl methyl sulfone;Methyl ethyl sulfone; |
| Density: | 1.091 g/cm3 |
| Melting Point: | 34 °C |
| Boiling Point: | 239.2 °C at 760 mmHg |
| Flash Point: | 120.8 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 24/25 |
| PSA: | 42.52000 |
| LogP: | 1.13170 |
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| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In methanol; dichloromethane; water at 20℃; for 2.5h; | 96.2% |
| With dihydrogen peroxide; acetic acid at 50 - 75℃; Autoclave; | 91.2% |
| With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid In dichloromethane for 16h; | 75% |
| Conditions | Yield |
|---|---|
| With hydrogen; <((t-Bu)2PH)PdP(t-Bu)2>2 (pretreated with oxygen) In tetrahydrofuran under 760 Torr; for 1h; Ambient temperature; | 83% |
| Conditions | Yield |
|---|---|
| With C30H24N2O7W; dihydrogen peroxide In dichloromethane; water for 1h; Reflux; | A 30% B 70% |
| With dihydrogen peroxide; [MoO(O2)2(C9H6ON)][PPh4] In dichloromethane at 40℃; for 1h; Product distribution; Further Variations:; Catalysts; Reagents; | A 50 % Chromat. B 48 % Chromat. |
| With tert.-butylhydroperoxide; aluminum tri-tert-butoxide In benzene | A n/a B 20 % Chromat. |
| Conditions | Yield |
|---|---|
| With cadmium In tetrahydrofuran 1.) r.t., 30 min, 2.) r.t., 6 h; | 42% |
- 141811-44-1
2-(ethanesulfonyl)acetic acid
- 594-43-4
ethyl methyl sulfone
| Conditions | Yield |
|---|---|
| at 210 - 250℃; |
- 141811-44-1
2-(ethanesulfonyl)acetic acid
A
- 594-43-4
ethyl methyl sulfone
B
- 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate
| Conditions | Yield |
|---|---|
| at 180 - 190℃; |
- 70350-25-3
ethyl β,β-dichlorovinyl sulfone
- 594-43-4
ethyl methyl sulfone
| Conditions | Yield |
|---|---|
| With piperidine In ethanol Heating; |
- 925-90-6
ethylmagnesium bromide
- 107268-47-3
(+/-)-3β-acetoxy-1-methylsulphonyloxymethyltropane
A
- 77-74-7
3-methylpentan-3-ol
B
- 594-43-4
ethyl methyl sulfone
- 103040-02-4
(1R,3S,5S)-1-Hydroxymethyl-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol
| Conditions | Yield |
|---|---|
| copper(l) iodide In tetrahydrofuran 1.) -30 deg C, 1 h; 2.) 20 deg C, 16 h; |
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride 1) electrolysis, DMF; Yield given. Multistep reaction; |
- 594-43-4
ethyl methyl sulfone
| Conditions | Yield |
|---|---|
| With nitric acid | |
| With potassium permanganate |
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Specification
The Ethane, (methylsulfonyl)-, with the CAS registry number of 594-43-4, is also known as Methyl ethyl sulfone. This chemical's molecular formula is C3H8O2S and molecular weight is 108.16. What's more, its IUPAC name is 1-Methylsulfonylethane. During using it, you should avoid contacting with skin and eyes.
Physical properties about Ethane, (methylsulfonyl)- are: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.4; (8)ACD/KOC (pH 7.4): 10.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 24.74 cm3; (15)Molar Volume: 99 cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 1.091 g/cm3; (18)Flash Point: 120.8 °C; (19)Enthalpy of Vaporization: 45.67 kJ/mol; (20)Boiling Point: 239.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0629 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Iodoethane with Methanesulfonyl chloride. The reaction needs reagent Cd and solvent Tetrahydrofuran. Other conditions of this reaction are 1.)r.t., 30 min; 2.)r.t., 6 h. The yield is about 42 %.
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Uses: (1)it can be used as strains mutagen; (2)it can be used for the research of organic synthesis and cancer.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(C)CC
(2) InChI: InChI=1/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
(3) InChIKey: YBJCDTIWNDBNTM-UHFFFAOYAK