76697-41-1

Basic information

• Product Name: Benzene, 1-(hexylthio)-2-nitro-
• CAS NO: 76697-41-1
• Molecular Formula: C12H17NO2S
• Molecular Weight: 239.338
• Mol File: 76697-41-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzene, 1-(hexylthio)-2-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-(hexylthio)-2-nitro-(76697-41-1)
• EPA Substance Registry System: Benzene, 1-(hexylthio)-2-nitro-(76697-41-1)

Safety Data

• Hazardous Substances Data: 76697-41-1(Hazardous Substances Data)

Upstream product

• 111-25-1 1-bromo-hexane 
• 4875-10-9 o-nitrothiophenol 

Downstream Products

• 76697-48-8 Hexyl-(2-nitrophenyl)-sulfon 

Relevant articles and documents

149. Notizen zur Synthese von 2-Aminophenylsulfonen

Syntheses of the alkyl, cycloalkyl and aryl 2-aminophenyl sulfones 10 were achieved by oxidation of the corresponding 2-nitrophenyl sulfides 7 to the 2-nitrophenyl sulfones 9 followed by ethanolic Bechamp-reduction.The sulfides 7 in turn were obtained by either reactions of 2-nitro-thiophenol (8) with the appropriate alkyl and cycloalkyl halides or of 2-chloro-nitrobenzene (5) with the relevant thiols.Condensation of 2-nitrobenzenesulfinic acid (3) with bromoacetic acid in aqueous alkaline solution led - presumably via 2-nitrophenylsulfonylacetic acid (4) - to methyl2-nitrophenyl sulfone (1), reduction of which gave 2-aminophenyl methyl sulfone (2).Treatment of 2-aminothiophenol (11) with t-butyl alcohol in aqueous sulfuric acid gave 2-aminophenyl t-butyl sulfide (12), which was acetylated to o-t-butylthio-acetanilide (13).Oxidation of the latter to o-t-butylsulfonyl-acetanilide (14) followed by hydrolysis led to 2-aminophenyl t-butyl sulfone (15).