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Ethane,(methylsulfonyl)-

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Name

Ethane,(methylsulfonyl)-

EINECS N/A
CAS No. 594-43-4 Density 1.091 g/cm3
PSA 42.52000 LogP 1.13170
Solubility N/A Melting Point 34 °C
Formula C3H8O2S Boiling Point 239.2 °C at 760 mmHg
Molecular Weight 108.161 Flash Point 120.8 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes 43
Molecular Structure Molecular Structure of 594-43-4 (ETHYL METHYL SULFONE) Hazard Symbols Xi
Synonyms

Sulfone,ethyl methyl (6CI,7CI,8CI);Ethyl methyl sulfone;Methyl ethyl sulfone;

Article Data 48

Ethane,(methylsulfonyl)- Synthetic route

624-89-5

Ethyl methyl sulfide

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
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%
3680-02-2

methyl ethenyl sulphone

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With hydrogen; <((t-Bu)2PH)PdP(t-Bu)2>2 (pretreated with oxygen) In tetrahydrofuran under 760 Torr; for 1h; Ambient temperature;83%
624-89-5

Ethyl methyl sulfide

A

1669-98-3

Ethyl methyl sulfoxide

B

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
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 benzeneA n/a
B 20 % Chromat.
75-03-6

ethyl iodide

124-63-0

methanesulfonyl chloride

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 180 - 190℃;
70350-25-3

ethyl β,β-dichlorovinyl sulfone

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
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
ConditionsYield
copper(l) iodide In tetrahydrofuran 1.) -30 deg C, 1 h; 2.) 20 deg C, 16 h;
2591-11-9

benzthiazol-2-yl ethyl sulphone

74-88-4

methyl iodide

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride 1) electrolysis, DMF; Yield given. Multistep reaction;
CH3SC2H5

CH3SC2H5

594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With nitric acid
With potassium permanganate

Ethane,(methylsulfonyl)- 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 %.

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

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