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49773-20-8

Basic Information
CAS No.: 49773-20-8
Name: 2-Aminoethylmethyl sulfone
Article Data: 13
Molecular Structure:
Molecular Structure of 49773-20-8 (2-Aminoethylmethyl sulfone)
Formula: C3H9NO2S
Molecular Weight: 123.176
Synonyms: 2-(Methylsulfonyl)ethan-1-amine;2-(Methylsulfonyl)ethanamine;2-(Methylsulfonyl)ethaneamine;2-(Methylsulfonyl)ethylamine;2-Aminoethyl methyl sulfone;
Density: 1.223g/cm3
Boiling Point: 368.5°Cat760mmHg
Flash Point: 176.7°C
PSA: 68.54000
LogP: 0.77080
Synthetic route
2274-42-2

methanesulfonyl-acetonitrile

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
Stage #1: methanesulfonyl-acetonitrile With dimethylsulfide borane complex In tetrahydrofuran at 20 - 40℃; for 14h;
Stage #2: With methanol In tetrahydrofuran at 0 - 80℃; for 2h; Reflux;
90%
With dimethylsulfide borane complex In tetrahydrofuran

2-<2-(methylsulfonyl)ethyl>-1H-isoindole-1,3(2H)dione

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
With hydrazine In ethanol; chloroform at 0 - 20℃;80%
BH3·THF

BH3·THF

2274-42-2

methanesulfonyl-acetonitrile

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
With hydrogenchloride; sodium methylate In tetrahydrofuran; methanol; dichloromethane77.89%
191604-52-1

2-methylsulfonylethyl methanesulfonate

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
With ammonia In dichloromethane at 45℃; under 1500.15 Torr; for 3h; Pressure; Temperature; Inert atmosphere;66.9%
50890-51-2

2-chloroethyl methyl sulfone

A

49773-20-8

2-Methanesulfonyl-ethylamine

B

bis-(2-methanesulfonyl-ethyl)-amine

Conditions
ConditionsYield
With ammonia

methyl-(2-nitro-ethyl)-sulfone

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
With methanol; nickel Hydrogenation;
18542-42-2

(2-aminoethyl)methylsulfide

KMnO4

KMnO4

49773-20-8

2-Methanesulfonyl-ethylamine

50890-51-2

2-chloroethyl methyl sulfone

A

49773-20-8

2-Methanesulfonyl-ethylamine

B

β.β'-bis-methanesulfonyl-diethylamine

β.β'-bis-methanesulfonyl-diethylamine

Conditions
ConditionsYield
With ammonia
202197-68-0

[2-(methylsulfonyl)ethyl]trifluoroacetamide

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
Alkaline hydrolysis;
146698-94-4

(2-methanesulfonyl-ethyl)-carbamic acid benzyl ester

49773-20-8

2-Methanesulfonyl-ethylamine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol
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Specification

The 2-Aminoethylmethyl sulfone with the cas number 49773-20-8 is also called 3-Aminopropane-1-sulfinate. The IUPAC name is 2-methylsulfonylethanamine and the systematic name is Ethanamine, 2-(methylsulfonyl)-. The molecular formula of this chemical is C3H9NO2S. Its product category is API intermediates. It is potent stimulator of ATP-dependent calcium uptake.

Properties Computed from Structure: (1)XLogP3-AA: -1.3; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 123.035399; (6)MonoIsotopic Mass: 123.035399; (7)Topological Polar Surface Area: 68.5; (8)Heavy Atom Count: 7; (9)Formal Charge: 0; (10)Complexity: 120; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)CCN
(2)InChI: InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3
(3)InChIKey: SDNXQWUJWNTDCC-UHFFFAOYSA-N