39996-49-1

Basic information

• Product Name: 1-(1-aminopyridin-5-yl)ethanone; 2,4,6-trimethylbenzenesulfonic acid
• CAS NO: 39996-49-1
• Molecular Formula: C₁₆H₂₁N₂O₄S+
• Molecular Weight: 336.412
• Mol File: 39996-49-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• CAS DataBase Reference: 1-(1-aminopyridin-5-yl)ethanone; 2,4,6-trimethylbenzenesulfonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1-aminopyridin-5-yl)ethanone; 2,4,6-trimethylbenzenesulfonic acid(39996-49-1)
• EPA Substance Registry System: 1-(1-aminopyridin-5-yl)ethanone; 2,4,6-trimethylbenzenesulfonic acid(39996-49-1)

Safety Data

• Hazardous Substances Data: 39996-49-1(Hazardous Substances Data)

Usage

Physical state

Pale yellow solid

Odor

Faint

Uses

Production of pharmaceuticals, pesticides, and other organic compounds

Common uses

Catalyst and acid source in organic synthesis, stabilizer and accelerator in polymer material production

Industrial applications

Widespread in various chemical processes

Regulation

Handled and used under strict safety and environmental protection guidelines

Upstream product

• 36016-39-4 N-(tert-butoxycarbonyl)-O-(mesitylsulfonyl)hydroxylamine 
• 350-03-8 methyl-3-pyridylketone 
• 36016-40-7 mesitylenesulfonylhydroxylamine 

Relevant articles and documents

Regioselective Synthesis of Pyrazolo[1,5- a]pyridine via TEMPO-Mediated [3 + 2] Annulation-Aromatization of N-Aminopyridines and α,β-Unsaturated Compounds

A TEMPO-mediated [3 + 2] annulation-aromatization protocol for the preparation of pyrazolo[1,5-a]pyridines from N-aminopyridines and α,β-unsaturated compounds was developed. The procedure offered multisubstituted pyrazolo[1,5-a]pyridines in good to excellent yield with high and predictable regioselectivity. The modification of marketed drugs including Loratadine, Abiraterone, and Metochalcone, and a one-pot three-step gram scale synthesis of key intermediate for the preparation of Selpercatinib were demonstrated. Mechanism studies show that TEMPO serves both as a Lewis acid and as an oxidant.