3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene Chemical Properties

Boiling point:

571.5±19.0 °C(Predicted)

Density 

1.397±0.06 g/cm3(Predicted)

pka

17.00±0.30(Predicted)

InChI

InChI=1S/C22H13N/c1-2-6-16-15(5-1)17-7-3-4-13-12-14-8-9-19-22(21(14)20(13)17)18(16)10-11-23-19/h1-12,23H

InChIKey

YERLIZQFPHUPGI-UHFFFAOYSA-N

SMILES

C12=CC=CC3C1=C1C4=C(NC=CC4=C4C=CC=CC4=3)C=CC1=C2

3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene Usage And Synthesis

Uses

3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene is an intermediate to synthesize RH-079 which could used to prepare organic light-emitting diode (OLED) devices.

Preparation

In a 1000ml reaction flask, 11-phenyl-7H-benzo[c]carbazole (25.0g, 85.2mmol), NaCl (74.7g, 1278.3mmol) and AlCl3 (340.9g, 2556.6mmol) were added to benzene. After hydrolysis, water and aqueous sodium hydrogen carbonate solution were used. It was washed, dried over magnesium sulfate, and concentrated. 3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene was obtained after purification.