4-Benzo[b]thien-2-ylbenzenamine Chemical Properties

Melting point:

144-145 °C

Boiling point:

413.7±20.0 °C(Predicted)

Density 

1.247±0.06 g/cm3(Predicted)

pka

4.04±0.10(Predicted)

InChI

InChI=1S/C14H11NS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H,15H2

InChIKey

KCZKJUGTTGALLE-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(C2SC3=CC=CC=C3C=2)C=C1

4-Benzo[b]thien-2-ylbenzenamine Usage And Synthesis

Uses

Used as a pharmaceutical intermediate for laboratory research.

Synthesis

4-Benzo[b]thiophen-2-yl-phenylamine was prepared according to the following procedure. A mixture of 4-iodoaniline (2.5 g, 11.2 mmol), 2-benzothio-pheneboronic acid (2.0 g, 11.2 mmol) and sodium carbonate (1.2 g, 11.2 mmol) in toluene (60 mL), ethanol (10 mL) and water (1 mL) was degassed with nitrogen for 5 min. A catalytic amount of Pd(dppf)2Cl2 was added, and the mixture was heated to reflux for 3 h. The mixture was cooled, adsorbed onto silica gel and purified by flash chromatography, 4-benzo[b]thiophen-2-yl-phenylamine.