1630-53-1

Basic information

• Product Name: isoquino[3,4-b]phenanthridine
• Synonyms: Isoquino[3,4-b]phenanthridine
• CAS NO: 1630-53-1
• Molecular Formula: C₂₀H₁₂N₂
• Molecular Weight: 280.3227
• Mol File: 1630-53-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 550.8°C at 760 mmHg
• Flash Point: 255.1°C
• Density: 1.32g/cm³
• Vapor Pressure: 1.29E-11mmHg at 25°C
• Refractive Index: 1.836
• CAS DataBase Reference: isoquino[3,4-b]phenanthridine(CAS DataBase Reference)
• NIST Chemistry Reference: isoquino[3,4-b]phenanthridine(1630-53-1)
• EPA Substance Registry System: isoquino[3,4-b]phenanthridine(1630-53-1)

Safety Data

• Hazardous Substances Data: 1630-53-1(Hazardous Substances Data)

Upstream product

• 59473-45-9 2-(chloromethyl)iodobenzene 
• 140-50-1 N,N'-diacetyl-1,4-phenylenediamine 
• 106-50-3 1,4-phenylenediamine 

Relevant articles and documents

Iterative double cyclization reaction by SRN1 mechanism. A theoretical interpretation of the regiochemical outcome of diazaheterocycles

In this report, we present a synthetic and mechanistic study of novel iterative double cyclization intramolecular SRN1 reactions from diamides bearing two aryl iodide moieties. This cyclization affords aromatic diazaheterocyclic compounds in good yields. Two synthetic strategies were employed for their preparation: intramolecular SRN1 and Homolytic Aromatic Substitution. The mechanism is non-trivial and we propose that radicals are intermediates. The regiochemistry was studied using computational calculations, employing the DFT method and the B3LYP functional. It was found that the distribution of products depends on the cyclization activation energies, proportion of neutral conformers, and the type of the electron transfer reaction.