Product Name

  • Name

    ETHYL METHYL SULFONE

  • EINECS
  • CAS No. 594-43-4
  • Article Data48
  • CAS DataBase
  • Density 1.091 g/cm3
  • Solubility
  • 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
  • Appearance
  • 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;
  • PSA 42.52000
  • LogP 1.13170

Synthetic route

Ethyl methyl sulfide
624-89-5

Ethyl methyl sulfide

ethyl methyl sulfone
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%
methyl ethenyl sulphone
3680-02-2

methyl ethenyl sulphone

ethyl methyl sulfone
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%
Ethyl methyl sulfide
624-89-5

Ethyl methyl sulfide

A

Ethyl methyl sulfoxide
1669-98-3

Ethyl methyl sulfoxide

B

ethyl methyl sulfone
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.
ethyl iodide
75-03-6

ethyl iodide

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With cadmium In tetrahydrofuran 1.) r.t., 30 min, 2.) r.t., 6 h;42%
2-(ethanesulfonyl)acetic acid
141811-44-1

2-(ethanesulfonyl)acetic acid

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
at 210 - 250℃;
2-(ethanesulfonyl)acetic acid
141811-44-1

2-(ethanesulfonyl)acetic acid

A

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

B

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

Conditions
ConditionsYield
at 180 - 190℃;
ethyl β,β-dichlorovinyl sulfone
70350-25-3

ethyl β,β-dichlorovinyl sulfone

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With piperidine In ethanol Heating;
ethylmagnesium bromide
925-90-6

ethylmagnesium bromide

(+/-)-3β-acetoxy-1-methylsulphonyloxymethyltropane
107268-47-3

(+/-)-3β-acetoxy-1-methylsulphonyloxymethyltropane

A

3-methylpentan-3-ol
77-74-7

3-methylpentan-3-ol

B

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

(1R,3S,5S)-1-Hydroxymethyl-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol
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;
...Expand
benzthiazol-2-yl ethyl sulphone
2591-11-9

benzthiazol-2-yl ethyl sulphone

methyl iodide
74-88-4

methyl iodide

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

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

CH3SC2H5

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

Conditions
ConditionsYield
With nitric acid
With potassium permanganate
1,3-bis-ethanesulfonyl-butan-2-one

1,3-bis-ethanesulfonyl-butan-2-one

KOH-solution

KOH-solution

A

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

B

diethylsulfone
597-35-3

diethylsulfone

C

2-(ethanesulfonyl)acetic acid
141811-44-1

2-(ethanesulfonyl)acetic acid

...Expand
1-(ethanesulfonyl)propane-2-one
86453-13-6

1-(ethanesulfonyl)propane-2-one

KOH-solution

KOH-solution

A

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

B

acetic acid
64-19-7

acetic acid

C

CH3SO2C2H5

CH3SO2C2H5

...Expand
1,3-bis-ethanesulfonyl-acetone

1,3-bis-ethanesulfonyl-acetone

concentrated KOH-solution

concentrated KOH-solution

A

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

B

ethanesulfonyl-acetate potassium

ethanesulfonyl-acetate potassium

...Expand
ethanesulfonyl-acetic acid ; sodium-compound

ethanesulfonyl-acetic acid ; sodium-compound

potassium hydroxide

potassium hydroxide

A

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

B

sodium carbonate

sodium carbonate

...Expand
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

N-methoxy-N-methyl-5-((trifluoromethyl)thio)benzo[d]oxazole-2-carboxamide

N-methoxy-N-methyl-5-((trifluoromethyl)thio)benzo[d]oxazole-2-carboxamide

2-(ethylsulfonyl)-1-(5-((trifluoromethyl)thio)benzo[d]oxazol-2-yl)ethan-1-one

2-(ethylsulfonyl)-1-(5-((trifluoromethyl)thio)benzo[d]oxazol-2-yl)ethan-1-one

Conditions
ConditionsYield
Stage #1: ethyl methyl sulfone With n-butyllithium In tetrahydrofuran; hexane at -70 - 0℃; for 0.166667h; Inert atmosphere;
Stage #2: N-methoxy-N-methyl-5-((trifluoromethyl)thio)benzo[d]oxazole-2-carboxamide In tetrahydrofuran; hexane at -70 - 20℃; Inert atmosphere;		83%
3-phenyl-propionaldehyde
104-53-0

3-phenyl-propionaldehyde

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

1-ethanesulfonyl-4-phenyl-butan-2-ol

1-ethanesulfonyl-4-phenyl-butan-2-ol

Conditions
ConditionsYield
With 2,6-dimethylpyridine; n-butyllithium In tetrahydrofuran at -60℃;52%
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

1-(3-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone

1-(3-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone

1-(3-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(2-(methylsulfonyl)ethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone

1-(3-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(2-(methylsulfonyl)ethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 90℃; for 16h;1%
Isobutyronitrile
78-82-0

Isobutyronitrile

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

1-ethanesulfonylmethyl-2-methyl-propylideneamine
69143-28-8

1-ethanesulfonylmethyl-2-methyl-propylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 1340512/, benzene; Multistep reaction;
tert-butyl isocyanide
630-18-2

tert-butyl isocyanide

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

1-ethanesulfonylmethyl-2,2-dimethyl-propylideneamine
69143-29-9

1-ethanesulfonylmethyl-2,2-dimethyl-propylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 1361449/, benzene; Multistep reaction;
propyl cyanide
109-74-0

propyl cyanide

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

1-ethanesulfonylmethyl-butylideneamine
69143-27-7

1-ethanesulfonylmethyl-butylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 1361452/, benzene; Multistep reaction;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

2-Methylbenzonitrile
529-19-1

2-Methylbenzonitrile

2-ethanesulfonyl-1-o-tolyl-ethylideneamine
69143-31-3

2-ethanesulfonyl-1-o-tolyl-ethylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 1857417/, benzene; Multistep reaction;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

benzonitrile
100-47-0

benzonitrile

2-ethanesulfonyl-1-phenyl-ethylideneamine
69143-30-2

2-ethanesulfonyl-1-phenyl-ethylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 506893/, benzene; Multistep reaction;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

para-methylbenzonitrile
104-85-8

para-methylbenzonitrile

2-ethanesulfonyl-1-p-tolyl-ethylideneamine
69143-33-5

2-ethanesulfonyl-1-p-tolyl-ethylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 507386/, benzene; Multistep reaction;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

3-Methylbenzonitrile
620-22-4

3-Methylbenzonitrile

2-ethanesulfonyl-1-m-tolyl-ethylideneamine
69143-32-4

2-ethanesulfonyl-1-m-tolyl-ethylideneamine

Conditions
ConditionsYield
(i) nBuLi, hexane, (ii) /BRN= 507391/, benzene; Multistep reaction;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

A

methanesulfonamide
3144-09-0

methanesulfonamide

B

Ethanesulfonamide
1520-70-3

Ethanesulfonamide

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given;
tris(6,6,7,7,8,8-heptafluoro-2,2-dimethyl-3,5-octadionato)europium(III)

tris(6,6,7,7,8,8-heptafluoro-2,2-dimethyl-3,5-octadionato)europium(III)

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

Eu(CF3CF2CF2COCHCOC(CH3)3)3*CH3SO2C2H5

Eu(CF3CF2CF2COCHCOC(CH3)3)3*CH3SO2C2H5

Conditions
ConditionsYield
In benzene Kinetics; at 280 K; not isolated, detected by fluorescence spectroscopy;
5-chloro-1H-indole-2-carboxylic acid-{(1S)-[(R)-hydroxy-(methoxy-methyl-carbamoyl)-methyl]-2-phenyl-ethyl}-amide

5-chloro-1H-indole-2-carboxylic acid-{(1S)-[(R)-hydroxy-(methoxy-methyl-carbamoyl)-methyl]-2-phenyl-ethyl}-amide

ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

5-chloro-1H-indole-2-carboxylic acid (1-benzyl-4-ethanesulfonyl-2-hydroxy-3-oxo-butyl)-amide

5-chloro-1H-indole-2-carboxylic acid (1-benzyl-4-ethanesulfonyl-2-hydroxy-3-oxo-butyl)-amide

Conditions
ConditionsYield
Stage #1: ethyl methyl sulfone With lithium diisopropyl amide In tetrahydrofuran at -78 - 0℃;
Stage #2: 5-chloro-1H-indole-2-carboxylic acid-{(1S)-[(R)-hydroxy-(methoxy-methyl-carbamoyl)-methyl]-2-phenyl-ethyl}-amide In tetrahydrofuran at 0℃; for 0.5h;
ethyl methyl sulfone
594-43-4

ethyl methyl sulfone

sodium methylate
124-41-4

sodium methylate

methyl 5-chloropyrazine-2-carboxylate
33332-25-1

methyl 5-chloropyrazine-2-carboxylate

C9H12N2O4S

C9H12N2O4S

Conditions
ConditionsYield
Stage #1: sodium methylate; methyl 5-chloropyrazine-2-carboxylate In tetrahydrofuran; methanol for 3h; Cooling with ice;
Stage #2: ethyl methyl sulfone In tetrahydrofuran; methanol at 80℃; for 24h;		11 g
Stage #1: sodium methylate; methyl 5-chloropyrazine-2-carboxylate In tetrahydrofuran; methanol for 3h; Cooling with ice;
Stage #2: ethyl methyl sulfone In tetrahydrofuran; methanol at 80℃; for 24h;		11 g
Stage #1: sodium methylate; methyl 5-chloropyrazine-2-carboxylate In tetrahydrofuran; methanol for 3h; Cooling with ice;
Stage #2: ethyl methyl sulfone In tetrahydrofuran; methanol at 80℃; for 24h; Cooling with ice;		11 g
Stage #1: sodium methylate; methyl 5-chloropyrazine-2-carboxylate In tetrahydrofuran; methanol for 3h; Cooling with ice;
Stage #2: ethyl methyl sulfone In tetrahydrofuran; methanol at 80℃; for 24h; Cooling with ice;		11 g
Stage #1: sodium methylate; methyl 5-chloropyrazine-2-carboxylate In tetrahydrofuran; methanol for 3h; Cooling with ice;
Stage #2: ethyl methyl sulfone In tetrahydrofuran; methanol at 80℃; for 24h; Cooling with ice;		11 g
...Expand

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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