138373-10-1

Basic information

• Product Name: Benzonitrile, 4-[(methylsulfonyl)oxy]-
• CAS NO: 138373-10-1
• Molecular Formula: C8H7NO3S
• Molecular Weight: 197.214
• Mol File: 138373-10-1.mol
• Article Data: 15

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 4-[(methylsulfonyl)oxy]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-[(methylsulfonyl)oxy]-(138373-10-1)
• EPA Substance Registry System: Benzonitrile, 4-[(methylsulfonyl)oxy]-(138373-10-1)

Safety Data

• Hazardous Substances Data: 138373-10-1(Hazardous Substances Data)

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 104175-13-5 4-(4-methylphenyl)-3-buten-2-ol 
• 767-00-0 4-cyanophenol 
• 104-54-1 3-Phenylpropenol 
• 75-75-2 methanesulfonic acid 
• 79664-67-8 4-(3,3-diethyltriaz-1-en-1-yl)benzonitrile 

Downstream Products

• 10278-46-3 N-(4-cyanophenyl)benzamide 
• 5203-14-5 4-butoxybenzonitrile 
• 623-26-7 terephthalonitrile 
• 1052148-15-8 (4-methanesulfonyloxyphenylmethane)amine 
• 122892-31-3 N-<4-<2-(dimethylamino)ethoxy>benzyl>-3,4-dimethoxybenzamide hydrochloride 
• 59182-08-0 4-(imidazo[1,2-a]pyridin-3-yl)benzonitrile 
• 850623-36-8 potassium (4-cyanophenyl)trifluoroborate 
• 29822-79-5 4-(2-phenylethynyl)benzonitrile 
• 56982-37-7 4-[(4-methoxyphenyl)ethynyl]benzonitrile 
• 1152498-11-7 C₁₅H₁₄N₂O 
• 66389-80-8 tert-butyl N-[(4-cyanophenyl)methyl]carbamate 
• 1363958-85-3 2',3',5',6'-tetrafluoro-4'-methyl-[1,1'-biphenyl]-4-carbonitrile 
• 58743-77-4 4'-methoxybiphenyl-4-carbonitrile 
• 1268340-83-5 4-(piperidin-1-ylmethyl)benzonitrile hydrochloride 

Relevant articles and documents

Chromatography-Free and Eco-Friendly Synthesis of Aryl Tosylates and Mesylates

Two chromatography-free and eco-friendly protocols have been developed to synthesize aryl tosylates and mesylates by the tosylation and mesylation of the corresponding hydroxyarenes, respectively. These protocols are superior to other known ones regarding

Mechanistic insight into the formal [1,3]-migration in the thermal claisen rearrangement

The thermal formal [1,3]-sigmatropic shift of allyl aryl ethers has been studied in depth experimentally with the aid of the density functional theory (DFT) calculations of the B3LYP function. Three mechanistic possibilities, referred to as the radical, ionic, and concerted mechanisms, have previously been put forth to explain the thermal [1,3]-rearrangement process. However, the intercrossing and radical trapping experiments indicate the rearrangement is an intramolecular process. The computational studies reveal that the concerted C[1,3]-sigmatropic shift suffered from a higher energetic barrier to allow the rearrangement to proceed under the conditions used. However, a tandem O[1,3]-sigmatropic shift with a configuration inversion of the oxygen atom and [3,3]-sigmatropic shift (the Claisen rearrangement) is the most likely pathway for the formal [1,3] rearrangement. Furthermore, the rearrangement experiments with a designed optically active substrate and O[1,3]-sigmatropic shift examples verify the new cascade rearrangement. In addition, computational and experimental studies indicate that water molecule assists the proton shift during the isomerization. The combined methods provide the new insight into the mechanism of the thermal formal [1,3]-migration in the Claisen rearrangement and the novel O[1,3]-sigmatropic shift as well.

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