5-Bromo-3-cyanoindole Chemical Properties

Boiling point:

405.9±25.0 °C(Predicted)

Density 

1.74±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

13?+-.0.30(Predicted)

Appearance

Light brown to brown Solid

InChI

InChI=1S/C9H5BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H

InChIKey

ZPUQCVKBNRGSAP-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(Br)C=C2)C(C#N)=C1

Safety Information

HS Code 

2933998090

5-Bromo-3-cyanoindole Usage And Synthesis

Synthesis

GENERAL METHOD: To a solution of 5-bromoindole (6.8 mmol) in anhydrous acetonitrile (6.0 mL) was slowly added chlorosulfonyl isocyanate (CSI) (0.63 mL, 7.25 mmol) dropwise at 0 °C, and the reaction mixture was kept stirring at 0 °C for 2 hours. Subsequently, anhydrous dimethylformamide (DMF) (1.3 mL, 170.0 mmol) was added dropwise and stirring was continued at 0 °C for 2 hours. Upon completion of the reaction, the mixture was poured into water and the resulting precipitate was collected by filtration. The precipitate was dried over anhydrous Na2SO4 and purified by column chromatography with the eluent being petroleum ether/ethyl acetate (40/60) or pure ethyl acetate to afford the target product 5-bromo-3-cyanoindole.

References

[1] Marine Drugs, 2018, vol. 16, # 8,

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