36073-93-5

Basic information

• Product Name: 4-NITROISOQUINOLINE
• Synonyms: 4-NITROISOQUINOLINE
• CAS NO: 36073-93-5
• Molecular Formula: C₉H₆N₂O₂
• Molecular Weight: 174.16
• Product Categories: Quinoline&Isoquinoline
• Mol File: 36073-93-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 64.5 °C
• Boiling Point: 328.4°Cat760mmHg
• Flash Point: 152.4°C
• Appearance: /
• Density: 1.354g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.682
• Storage Temp.: 2-8°C
• PKA: 1.35±0.10(Predicted)
• CAS DataBase Reference: 4-NITROISOQUINOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-NITROISOQUINOLINE(36073-93-5)
• EPA Substance Registry System: 4-NITROISOQUINOLINE(36073-93-5)

Safety Data

• Hazardous Substances Data: 36073-93-5(Hazardous Substances Data)

Usage

General Description

4-NITROISOQUINOLINE is a chemical compound with the molecular formula C9H6N2O2. It is a yellow crystalline solid that is used in the synthesis of pharmaceuticals and as a reagent in organic chemistry. The compound is known for its nitro group, which makes it useful in the development of potential pharmaceuticals and as a building block for more complex chemical structures. It is also used in the research and development of new drugs and in the production of fine chemicals. However, it is important to handle 4-NITROISOQUINOLINE with care, as it can be hazardous if not properly managed.

InChI:InChI=1/C9H6N2O2/c12-11(13)9-6-10-5-7-3-1-2-4-8(7)9/h1-6H

Upstream product

• 119-65-3 isoquinoline 
• 192182-56-2 4-isoquinolineboronic acid 

Downstream Products

• 111493-33-5 4,5-dinitroisoquinoline 
• 1432028-34-6 2-ethyl-4-nitro-1(2H)-isoquinolinone 
• 1432028-32-4 2-ethyl-4-nitro-1(2H)-isoquinolinium hydroperoxide 
• 1432028-30-2 2-ethyl-4-nitroisoquinolinium tetrafluoroborate 
• 111493-34-6 pyrido<3,4,5-de>quinazoline-2-thione 
• 110748-36-2 1H-pyrido<3,4,5-de>quinazoline 
• 110191-89-4 isoquinoline-4,5-diamine 
• 342899-40-5 N-(3-chloro-4-isoquinolinyl)-2-cyclopropylamino-3-pyridinecarboxamide 
• 342899-39-2 2-chloro-N-(3-chloro-4-isoquinolinyl)-3-pyridinecarboxamide 
• 342899-38-1 4-amino-3-chloroisoquinoline 
• 78886-54-1 1-Amino-4-nitroisoquinoline 
• 23687-25-4 4-aminoisoquinoline 

Relevant articles and documents

Catalyst-free ipso-nitration of aryl boronic acids using bismuth nitrate

We report a catalyst-free ipso-nitration of aryl boronic acids using bismuth (III) nitrate as nitrating agent. Reaction proceeds in shorter reaction times with moderate to excellent yields. This method is operationally simple, regioselective, and possesses excellent functional group compatibility to synthesize nitroarenes.

Preparation of novel heteroisoindoles from nitropyridines and nitropyridones

The reaction of nitropyridine derivatives with ethyl isocyanoacetate in the presence of 1,8-diazabicyclo[5.4.0]undecene proceeded tandem cyclization to give polycyclic pyrrolopyridines or imidazopyridines. On the other hand, N-protected 3-nitro- and 5-nitropyridones and N,N-diprotected 5-nitrouracil gave corresponding bicyclic pyrroles in good yields under the similar conditions.

A new efficient synthesis of 3-nitropyridine and substituted derivatives

Pyridine and pyridine derivatives have been nitrated in the β-position by reaction with N2O5 or NO2·BF4 in MeNO2, THF or MeCN to form the N-nitropyridinium salt. This was then reacted with an aqueous solution of a nucleophile to give the β-nitro compound in moderate to good yield.