41774-06-5

Basic information

• Product Name: Benzene, [(1-methyl-1-nitroethyl)sulfonyl]-
• CAS NO: 41774-06-5
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.257
• Mol File: 41774-06-5.mol

Chemical Properties

• CAS DataBase Reference: Benzene, [(1-methyl-1-nitroethyl)sulfonyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, [(1-methyl-1-nitroethyl)sulfonyl]-(41774-06-5)
• EPA Substance Registry System: Benzene, [(1-methyl-1-nitroethyl)sulfonyl]-(41774-06-5)

Safety Data

• Hazardous Substances Data: 41774-06-5(Hazardous Substances Data)

Upstream product

• 873-55-2 sodium benzenesulfonate 
• 75376-78-2 1-methyl-1-nitroethyl p-chlorophenyl sulphoxide 
• 75376-76-0 1-methyl-1-nitroethyl 2,4-dinitrophenyl sulphide 
• 66463-89-6 1-methyl-1-nitroethyl p-nitrophenyl sulphide 
• 595-49-3 2,2-dinitropropane 
• 38590-81-7 2-iodo-2-nitropropane 
• 5447-97-2 2-bromo-2-nitropropane 
• 594-71-8 2-chloro-2-nitro-propane 
• 79-46-9 2-nitropropane 

Downstream Products

• 3964-18-9 2,3-dimethyl-2,3-dinitrobutane 
• 52755-34-7 1-methyl-1-nitroethyl p-chlorophenyl sulphide 
• 77-76-9 2,2-dimethoxy-propane 
• 79-46-9 2-nitropropane 

Relevant articles and documents

Electrooxidative coupling of salts of nitro compounds with halide, nitrite, cyanide, and phenylsulfinate anions

Electrolysis of salts of primary and secondary nitro compounds (nitroethane, 1- and 2-nitropropanes, nitrocyclohexane, and nitrocycloheptane) in the presence of excess halide, nitrite, cyanide, and phenylsulfinate anions under undivided and divided amperostatic electrolysis conditions in a two-phase medium (CH2Cl2/H2O) produces geminal nitrohalides (35-85% yields), dinitro compounds (15-51%), nitronitriles (6-27%), and nitrosulfones (50-70%). The salts of secondary nitro compounds form the products of oxidative coupling with halide and phenylsulfinate anions under the undivided electrolysis conditions. In all other cases, divided electrolysis is required.

Catalyzed Oxidative Nitration of Nitronate Salts

Nitronate salts are converted to gem-dinitro compounds with nitrite ion and persulfate, in the presence of a catalytic amount of ferricyanide.The use of cyanide or sulfinate salts in place of nitrile gave gem-cyanonitro compounds and α-nitro sulfones, respectively.

Oxidative Substitution of Nitroparaffin Salts

α,α-Dinitro compounds, α-nitro sulfones, and α-nitro nitriles are obtained in excellent yields when nitroparaffin salts are coupled to nitrite, benzenesulfinate, and cyanide ions by the agency of potassium ferricyanide.

Radical-Nucleophilic Substitution (SRN1) Reactions: Preparation and Reactions of α-Nitrosulphides

α-Nitrosulphides were prepared by SRN1 reaction of 2-bromo-2-nitropropane with thiolate anions, and by SN2 attack of sodium 2-nitropropan-2-ide on symmetrical disulphides.The α-nitrosulphides undergo radical-nucleophilic substitution (SRN1) by nitronate, sulphinate, and malonate anions, but not by thiolate anions.