1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE Chemical Properties

Melting point:

58 °C

Boiling point:

277.3±32.0 °C(Predicted)

Density 

1.417±0.06 g/cm3(Predicted)

storage temp. 

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

pka

-1.68±0.36(Predicted)

Appearance

White to light yellow Solid

CAS DataBase Reference

32863-33-5

Safety Information

Hazard Codes 

Xi

Safety Statements 

24/25

HazardClass 

IRRITANT

HS Code 

2934999090

1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE Usage And Synthesis

Synthesis

Compound 15 (CAS: 19164-42-2, 10 g, 0.061 mol) was used as starting material and dissolved in dichloromethane (50 mL). A solution of triphenylphosphine (16 g, 0.061 mol) in dichloromethane (50 mL) was slowly added dropwise at 0 °C in an ice bath. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0 °C for 30 min. Upon completion of the reaction, the solvent was removed by rotary evaporator under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1:20, v/v) as eluent. The target fraction was collected and concentrated to give benzo[c][1,2,5]oxadiazole-5-carbaldehyde (product 16, 6.3 g, 70% yield) as white needle-like crystals. The melting point is 55-56°C (literature values are consistent).

References

[1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 4, p. 657 - 667

1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE(32863-33-5)Related Product Information

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