76697-43-3

Basic information

• Product Name: 1-nitro-2-(propylsulphonyl)benzene
• Synonyms: 1-nitro-2-(propylsulphonyl)benzene;1-Nitro-2-(propylsulfonyl)benzene
• CAS NO: 76697-43-3
• Molecular Formula: C₉H₁₁NO₄S
• Molecular Weight: 229.25294
• EINECS: 278-525-1
• Mol File: 76697-43-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 413.6°Cat760mmHg
• Flash Point: 203.9°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 1.14E-06mmHg at 25°C
• Refractive Index: 1.542
• CAS DataBase Reference: 1-nitro-2-(propylsulphonyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-nitro-2-(propylsulphonyl)benzene(76697-43-3)
• EPA Substance Registry System: 1-nitro-2-(propylsulphonyl)benzene(76697-43-3)

Safety Data

• Hazardous Substances Data: 76697-43-3(Hazardous Substances Data)

Usage

Physical state

Yellow crystalline solid

Chemical class

Organic nitro compounds

Uses

Intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes; key building block for the production of various organic compounds

Industrial applications

Versatility in organic synthesis and reactivity

Safety precautions

Potential hazards to human health and the environment; should be handled and stored with care.

InChI:InChI=1/C9H11NO4S/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3

Upstream product

• 76697-38-6 1-propylsulfanyl-2-nitrobenzene 
• 106-94-5 propyl bromide 
• 13165-79-2 2-nitrobenzenesulfinic acid 
• 4875-10-9 o-nitrothiophenol 
• 80-82-0 2-nitrobenzenesulfonic acid 

Downstream Products

• 770698-49-2 2'-propylsulfonyl-2-(anilinomethyl)imidazoline 
• 76697-58-0 2-Aminophenyl-propyl-sulfon 

Relevant articles and documents

Imidazoline derivatives as alpha-1A adrenoceptor ligands

Compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof are disclosed. Such compounds are useful in the treatment of Alpha-1A mediated diseases or conditions such as urinary incontinence.

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).