59892-44-3

Basic information

• Product Name: 1-benzyl-5-nitropyridin-2(1H)-one
• CAS NO: 59892-44-3
• Molecular Formula: C₁₂H₁₀N₂O₃
• Molecular Weight: 230.2194
• Mol File: 59892-44-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 410.6°C at 760 mmHg
• Flash Point: 202.1°C
• Density: 1.33g/cm³
• Vapor Pressure: 5.95E-07mmHg at 25°C
• Refractive Index: 1.64
• CAS DataBase Reference: 1-benzyl-5-nitropyridin-2(1H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-5-nitropyridin-2(1H)-one(59892-44-3)
• EPA Substance Registry System: 1-benzyl-5-nitropyridin-2(1H)-one(59892-44-3)

Safety Data

• Hazardous Substances Data: 59892-44-3(Hazardous Substances Data)

Usage

Yellow crystalline solid

The physical appearance of the compound is a yellow, crystalline solid, which means it has a well-defined and ordered structure.

Nitro group

The presence of a nitro group (-NO2) in the compound makes it useful in the preparation of various organic compounds, including pharmaceuticals and agrochemicals.

Intermediate or starting material

1-benzyl-5-nitropyridin-2(1H)-one is used as an intermediate or starting material for the synthesis of other chemicals, which means it can be further modified or reacted with other compounds to create new molecules.

Medicinal chemistry applications

The compound has potential applications in the field of medicinal chemistry, as it can be modified to produce new drug candidates with desired biological properties.

Caution in handling

It is important to handle 1-benzyl-5-nitropyridin-2(1H)-one with caution, as it may have harmful effects if not used properly. This could be due to its reactivity, toxicity, or other hazardous properties.

Upstream product

• 5418-51-9 5-nitro-2-hydroxypyridine 
• 5418-51-9 5-nitro-2-pyridone 
• 100-39-0 benzyl bromide 
• 5446-92-4 2-methoxy-5-nitropyridine 
• 75926-54-4 2-(benzyloxy)-5-nitropyridine 

Downstream Products

• 4548-45-2 2-chloro-5-nitropyridine 
• 337962-79-5 5-amino-1-benzyl-2(1H)-pyridone 
• 337962-88-6 2-[1-(1-benzyl-6-oxo-1,6-dihydro-pyridin-3-ylcarbamoyl)-cyclopentylmethyl]-pentanoic acid benzyl ester 
• 906070-00-6 2-{1-[(1-benzyl-6-oxo-1,6-dihydro-pyridin-3-yl)-methyl-carbamoyl]-cyclopentylmethyl}-pentanoic acid benzyl ester 

Relevant articles and documents

Catalytic O- to N-Alkyl Migratory Rearrangement: Transition Metal-Free Direct and Tandem Routes to N-Alkylated Pyridones and Benzothiazolones

The present study reports the synthesis of N-alkylated pyridones and benzothiazolones via O- to N-alkyl group migration under transition metal-free TfOH-catalyzed reaction conditions for the first time, to the best of our knowledge. Primary as well as secondary alkyl groups smoothly migrate under the present reaction conditions. Moreover, a minor modification of the protocol used in this study is found to be applicable for an entirely new tandem synthesis of 2-alkoxy-N-heterocycles from the simplest starting materials in a solvent-free reaction conditions. Density Functional Theory (DFT) calculation identifies the energy species associated with the rearrangement, whereas, mechanistic experiments explore the role of the catalyst as the alkyl group transfer mediator. (Figure presented.).

Hilbert-Johnson reaction under high pressure: A facile preparation of 2-pyridones

For the first time, a facile synthesis of 2-pyridones utilizing a classical Hilbert-Johnson reaction of 2-methoxypyridines with haloalkanes under high pressure has been achieved. The reactions were sensitive to steric hindrance of haloalkanes.