76697-58-0

Basic information

• Product Name: 1-AMINO-2-(PROPYLSULPHONYL)BENZENE
• Synonyms: 1-AMINO-2-(PROPYLSULPHONYL)BENZENE;2-(propylsulphonyl)aniline;1-Amino-2-(propylsulfonyl)benzene;1-Amino-2-(propylsulphonyl)benzene 98%;2-(Propylsulfonyl)benzenamine
• CAS NO: 76697-58-0
• Molecular Formula: C₉H₁₃NO₂S
• Molecular Weight: 199.27
• EINECS: 278-526-7
• Mol File: 76697-58-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 389.4 °C at 760 mmHg
• Flash Point: 189.3 °C
• Appearance: /
• Density: 1.196 g/cm³
• Vapor Pressure: 2.86E-06mmHg at 25°C
• Refractive Index: 1.55
• CAS DataBase Reference: 1-AMINO-2-(PROPYLSULPHONYL)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-AMINO-2-(PROPYLSULPHONYL)BENZENE(76697-58-0)
• EPA Substance Registry System: 1-AMINO-2-(PROPYLSULPHONYL)BENZENE(76697-58-0)

Safety Data

• Hazardous Substances Data: 76697-58-0(Hazardous Substances Data)

Usage

General Description

1-AMINO-2-(PROPYLSULPHONYL)BENZENE is a chemical compound with the molecular formula C9H13NO2S. It is commonly known as N-propyl-p-toluenesulfonamide and is used as a reagent in organic synthesis. The compound has a benzene ring with a propylsulfonyl group attached to the amino group at the para position. It is often used as a building block in the synthesis of pharmaceuticals and agrochemicals due to its versatile reactivity and stable structure. The compound is also used as an intermediate in the production of dyes, pigments, and other specialty chemicals. Additionally, 1-AMINO-2-(PROPYLSULPHONYL)BENZENE has applications in the production of plasticizers, lubricants, and other industrial products.

InChI:InChI=1/C9H13NO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3

Upstream product

• 79792-95-3 2-(propylthio)aniline 
• 80-82-0 2-nitrobenzenesulfonic acid 
• 76697-43-3 2-propylsulfonyl nitrobenzene 

Downstream Products

• 770698-49-2 2'-propylsulfonyl-2-(anilinomethyl)imidazoline 
• 1352310-95-2 2-n-propyl sulfone 

Relevant articles and documents

Visible-Light-Promoted Remote C-H Functionalization of o-Diazoniaphenyl Alkyl Sulfones

Visible-light irradiation of ortho-diazoniaphenyl alkyl sulfones in the presence of Ru(bpy)32+ results in remote Csp3-H functionalization. Key mechanistic steps in these processes involve intramolecular hydrogen atom transfer from Csp3-H bonds to aryl radicals to generate alkyl/benzyl radicals. Subsequent polar crossover occurs by single-electron oxidation of the alkyl/benzyl radicals to carbenium ions that then intercept nucleophiles. We have developed remote hydroxylations, etherifications, an amidation, and C-C bond formation processes using this strategy.

2-(Anilinomethyl)imidazolines as α1 adrenergic receptor agonists: The discovery of α10 subtype selective 2′-alkylsulfonyl-substituted analogues

A series of 2′-alkylthio-2-(anilinomethyl)imidazolines were prepared to examine the effect of the alkyl group size, sulfur oxidation state, and phenyl ring substitution on ligand binding and agonism of α-adrenergic receptor subtypes α1a, α1b, α1d, α2a, and α2c. Binding at all receptor subtypes decreased for compounds in the sulfone oxidation state as compared to their sulfide analogues. While sulfides were generally potent, nonselective agonists, sulfones exhibited α1a subtype selectivity in a cell-based functional assay. Sulfone (32) was 250-7000-fold selective for α1a vs all other subtypes.