50790-29-9

Basic information

• Product Name: 2-(Methanesulfonylamino)benzonitrile
• Synonyms: 2-(Methanesulfonylamino)benzonitrile;Nsc73084
• CAS NO: 50790-29-9
• Molecular Formula: C₈H₈N₂O₂S
• Molecular Weight: 196.226320
• Product Categories: Boron, Nitrile, Thio,& TM-Cpds
• Mol File: 50790-29-9.mol

Chemical Properties

• Melting Point: 166 °C(Solv: water (7732-18-5); methanol (67-56-1))
• Boiling Point: 366.1 °C at 760 mmHg
• Flash Point: 175.2 °C
• Appearance: /
• Density: 1.36 g/cm³
• Vapor Pressure: 1.5E-05mmHg at 25°C
• Refractive Index: 1.587
• Storage Temp.: 2-8°C
• PKA: 7.14±0.10(Predicted)
• CAS DataBase Reference: 2-(Methanesulfonylamino)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Methanesulfonylamino)benzonitrile(50790-29-9)
• EPA Substance Registry System: 2-(Methanesulfonylamino)benzonitrile(50790-29-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 50790-29-9(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-(Methanesulfonylamino)benzonitrile is used as a starting material for the synthesis of other complex molecules, contributing to the development of new chemical compounds.
Used in Pharmaceutical Industry:
2-(Methanesulfonylamino)benzonitrile is used as an intermediate in the production of pharmaceuticals, potentially aiding in the creation of new drugs and medications.
Used in Research and Development:
2-(Methanesulfonylamino)benzonitrile is used as a raw material in research and development settings, allowing scientists to explore its properties and potential applications in various fields.

InChI:InChI=1/C8H8N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 1885-29-6 anthranilic acid nitrile 
• 235100-91-1 2-benzonitrile 
• 3144-09-0 methanesulfonamide 
• 394-47-8 2-fluorobenzonitrile 
• 1010691-05-0 1-(methanesulfonyl)-1H-indazole 

Downstream Products

• 1073159-76-8 N-(2-aminomethyl-phenyl)-methanesulfonamide acetate 

Relevant articles and documents

Direct N-Alkylation and Kemp Elimination Reactions of 1-Sulfonyl-1H-Indazoles

The reactions of 1-sulfonyl-1H-indazoles under basic conditions are discussed, and the direct N-alkylation and Kemp elimination reactions of these compounds are reported. A series of 2-(p-tosylamino)benzonitriles and N-alkyl indazoles were prepared in good yields. Moreover, the 2-(p-tosylamino)benzonitriles could be transformed into a diverse range of important derivatives in a one-pot reaction. This method was successfully applied to the total syntheses of quindolinone and cryptolepinone; quindolinone was prepared in a one-pot reaction from 1-sulfonyl-1H-indazole.

Mild hypervalent iodine mediated oxidative nitration of N-aryl sulfonamides

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SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH

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β-cyclodextrin-catalyzed monosulfonylation of amines and amino acids in water

A mild and efficient procedure has been developed for the first time under biomimetic conditions for the monosulfonylation of various amines and amino acids catalyzed by β-cyclodextrin in water at room temperature to afford the corresponding sulfonamides in high yields.

The CSIC [carbanion mediated sulfonate (sulfonamido) intramolecular cyclization] reaction: Scope and limitations

The CSIC (Carbanion-mediated Sulfonate-Sulfonamide-Intramolecular Cyclization) reaction has been extended to new carbonyl containing substrates, showing the scope and limitations of this process. Suitable derivatives of ketones (e.g acetophenone (1)), β-keto esters (e.g ethyl acetoacetate (4)), γ-keto esters (e.g ethyl 2-oxocyclohexaneacetate (5) and ethyl levulinate (6)) proved reluctant to undergo this protocol. Cyclopropyl methyl ketone (2) gave the heterocycle (3), only in the 'sulfonamide' synthetic sequence of the CSIC reaction. Cyclic azaketones (e.g tropinone (7)) fated also, but 4-piperidones (9, 10) afforded the novel 3,8- disubstituted 4-amino-8-aza-1-oxa-2-thiaspiro[4.5]dec-3-ene 2,2-dioxide (12, 15a-c) and 8-substituted 4-amino-1,8-diaza-2-thiaspiro[4.5]dec-3-ene 2,2- dioxide (18a, 18b, 21a, 21b) ring systems; the former compounds are the first examples of such ring systems substituted at the 3-position, whereas the latter represent the first ever representatives of spiro fused systems containing the 4-amino-2,3-dihydroisothiazole 1,1-dioxide moiety. Base promoted (NaH or DBU) cyclization of precursors 11b, 14a-c, 17b, 17c and 20 give the final adducts in good overall yield. Finally, we were unsuccessful with some conveniently functionalized anthranilonitrile derivatives (8a-d), in an attempt to extend the CSIC reaction to β-aminonitriles. As a result of these studies the substrate dependent reactivity in the CSIC reaction has been analyzed in depth and some restrictions and limitations have been observed and discussed.

Selective monodesulfonylation of N,N-disulfonylarylamines with tetrabutylammonium fluoride

The monodesulfonylation reaction of N,N-bis(methylsulfonyl)-, N,N- bis(phenylsulfonyl)-, and N,N-bis(p-tolylsulfonyl)arylamines easily proceeded using tetrabutylammonium fluoride in tetrahydrofuran under mild conditions to give the corresponding N-monosulfonylarylamines in excellent yields.