5-BROMO-1H-INDAZOLE-3-CARBALDEHYDE Chemical Properties

Boiling point:

414.1±25.0 °C(Predicted)

Density 

1.830±0.06 g/cm3(Predicted)

storage temp. 

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

pka

10.78±0.40(Predicted)

Appearance

Light brown to brown Solid

InChI

InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)

InChIKey

ILGTYHMEQSSHFG-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(Br)C=C2)C(C=O)=N1

Safety Information

HazardClass 

IRRITANT

HS Code 

2933998090

5-BROMO-1H-INDAZOLE-3-CARBALDEHYDE Usage And Synthesis

Synthesis

Step 3: (5-bromo-1H-indazol-3-yl)methanol (0.267 g, 1.18 mmol) was dissolved in ethyl acetate (12 mL) and manganese dioxide (1.03 g, 11.8 mmol) was added. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, solid impurities were removed by diatomaceous earth filtration and the filtrate was concentrated under reduced pressure to afford 5-bromo-1H-indazole-3-carbaldehyde (0.179 g, 67% yield). The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 7.63 (dd, J = 1.5, 8.8 Hz, 1H), 7.71 (d, J = 8.8 Hz, 1H), 8.27 (d, J = 1.5 Hz, 1H), 10.18 (s, 1H), 14.37 (br s, 1H).

References

[1] Patent: EP2565192, 2013, A1. Location in patent: Paragraph 0366

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