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Propanenitrile, 3-(methylsulfonyl)-, also known as mimosyl, is a chemical compound with the molecular formula C4H7NO2S. It is a colorless to pale yellow liquid that is commonly used in the manufacturing of pharmaceuticals, pesticides, and other organic compounds. The methylsulfonyl group attached to the carbon chain of propanenitrile gives it unique chemical properties, making it useful in various industrial processes. It is also used as an intermediate in the synthesis of other organic compounds and has a wide range of applications in the chemical industry. Additionally, it can be a useful reagent in organic synthesis, making it a versatile and important chemical compound.

54863-37-5

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54863-37-5 Usage

Uses

Used in Pharmaceutical Industry:
Propanenitrile, 3-(methylsulfonyl)is used as an intermediate in the synthesis of various pharmaceutical compounds for its unique chemical properties.
Used in Pesticide Industry:
Propanenitrile, 3-(methylsulfonyl)is used in the manufacturing of pesticides to create effective and efficient products.
Used in Chemical Industry:
Propanenitrile, 3-(methylsulfonyl)is used as a versatile reagent in organic synthesis for its wide range of applications.
Used in Organic Compounds Synthesis:
Propanenitrile, 3-(methylsulfonyl)is used as an intermediate in the synthesis of other organic compounds due to its unique chemical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 54863-37-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,8,6 and 3 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 54863-37:
(7*5)+(6*4)+(5*8)+(4*6)+(3*3)+(2*3)+(1*7)=145
145 % 10 = 5
So 54863-37-5 is a valid CAS Registry Number.

54863-37-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(Methylsulfonyl)propanenitrile

1.2 Other means of identification

Product number -
Other names 2-methyl-2H-isoindole-1-carbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:54863-37-5 SDS

54863-37-5Downstream Products

54863-37-5Relevant academic research and scientific papers

Mechanistic studies of ruthenium(III)-catalyzed oxidation of DL-methionine by hexacyanoferrate(III) in an alkaline medium

Rao, B. Dharma,Sarathi, T.V.N. Partha,Annapurna,Vani

, p. 263 - 272 (2011)

The kinetics and mechanism of ruthenium(III) catalyzed oxidation of dl-methionine by alkaline hexacyanoferrate(III) (HCF(III)) in an alkaline medium were studied spectrophotometrically at 300.1C. The reaction was first-order-dependent each on [HCF(III)] and [ruthenium(III)] and fractional-order-dependent on [alkali]. The rate of the reaction was found to be decreased with the increase in [methionine]. The main product of oxidation was methionine sulfone nitrile (3-(methylsulfonyl)propanenitrile) and it was identified and confirmed by FT-IR and mass spectral studies. Further, no effect of added reaction product was observed. A plausible mechanism was proposed involving complexation between methionine and ruthenium(III) species, [Ru(H 2O)5OH]2+. Thermodynamic parameters for the reaction, Ea and ΔS#, were computed using linear least squares method and are found to be 65.83±1.03kJ/mol and -249.58±3.35J/ Kmol, respectively.

Process for preparing 3-(methylsulfonyl)propionitrile

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Page/Page column 3; 4, (2017/12/12)

The present invention relates to processes for preparing for preparing 3-(methylsulfonyl)propionitrile. The processes comprise the steps of first reacting 2-chloroethyl methyl sulfide with sodium cyanide or potassium cyanide in a solvent or a solvent mixture to form 3-(methylthio)propionitrile, and then reacting the isolated 3-(methylthio)propionitrile with acetic anhydride, acetic acid, and hydrogen peroxide to form 3-(methylsulfonyl)propionitrile.

Bio-based nitriles from the heterogeneously catalyzed oxidative decarboxylation of amino acids

Claes, Laurens,Matthessen, Roman,Rombouts, Ine,Stassen, Ivo,De Baerdemaeker, Trees,Depla, Diederik,Delcour, Jan A.,Lagrain, Bert,De Vos, Dirk E.

, p. 345 - 352 (2015/01/30)

The oxidative decarboxylation of amino acids to nitriles was achieved in aqueous solution by in situ halide oxidation using catalytic amounts of tungstate exchanged on a [Ni,Al] layered double hydroxide (LDH), NH4Br, and H2O2 as the terminal oxidant. Both halide oxidation and oxidative decarboxylation were facilitated by proximity effects between the reactants and the LDH catalyst. A wide range of amino acids was converted with high yields, often > 90%. The nitrile selectivity was excellent, and the system is compatible with amide, alcohol, and in particular carboxylic acid, amine, and guanidine functional groups after appropriate neutralization. This heterogeneous catalytic system was applied successfully to convert a pro-tein-rich byproduct from the starch industry into useful biobased N-containing chemicals.

PROCESS FOR PREPARING 3-METHYLSULFONYLPROPIONITRILE

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Paragraph 0056-0058, (2013/09/12)

The present invention relates to processes for preparing 3-methylsulfonylpropionitrile. The processes provide a good yield and a good purity of the final product and provide a controllable reaction. The present invention also relates to a crystalline form of 3-methylsulfonylpropionitrile having X-ray diffraction peaks at 13.9±0.1, 19.2±0.1, 20.0±0.1, 22.5±0.1, 23.2±0.1, 25.7±0.1, 28.1±0.1, 29.9±0.1, and 30.6±0.1 degrees 2θ, and wherein the most intense peak is the peak at 13.9±0.1 degrees 2θ.

Synthesis of Alkenyl Sulphoxides by Intramolecular and Intermolecular Addition of Sulphenic Acids to Alkynes

Bell, Richard,Cottam, Peter D.,Davies, John,Jones, D. Neville

, p. 2106 - 2115 (2007/10/02)

Alkyne-ω-sulphenic acids formed by thermolysis of ω-(t-butylsulphinyl)alkynes at 40 deg C cyclized regiospecifically to 2-methylenethiacycloalkane 1-oxides; 2-methylenethietan 1-oxide was not formed in this way. 2-Methylpropane-2-sulphenic acid, obtained by heating di-t-butyl sulphoxide, added regioselectively to oct-1-yne to give predominantly 2-t-butylsulphinyloct-1-ene, which itself decomposed thermally to a mixture of dioctenyl sulphoxides by way of alkenesulphenic acid-dialkyl sulphine interconversions.Benzenesulphenic acid, methanesulphenic acid, and ethoxycarbonylmethanesulphenic acid, conveniently generated by thermolysis of 1-cyano-2-alkyl(or aryl)sulphinylethanes, underwent intermolecular addition to unactivated and activated alkynes regioselectively to give alkenyl sulphoxides in good yields.

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