6-BROMOBENZOXAZOLE Chemical Properties

Boiling point:

251.2±13.0 °C(Predicted)

Density 

1.710±0.06 g/cm3(Predicted)

storage temp. 

2-8°C(protect from light)

pka

-0.49±0.30(Predicted)

form 

granular crystalline powder

color 

Reddish salmon (hint of tan)

InChI

InChI=1S/C7H4BrNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H

InChIKey

YXVFVHLEIBLKCA-UHFFFAOYSA-N

SMILES

O1C2=CC(Br)=CC=C2N=C1

Safety Information

HS Code 

2934999090

6-BROMOBENZOXAZOLE Usage And Synthesis

Uses

6-Bromobenzo[D]oxazole is a heterocyclic organic compound that can be used as a pharmaceutical intermediate.

Synthesis

General procedure for the synthesis of 6-bromobenzo[d]oxazole from 2-amino-5-bromophenol and trimethyl orthoformate: A mixture of 2-amino-5-bromophenol (1.0 g, 5.34 mmol), p-toluenesulfonic acid (100 mg, 0.581 mmol), and trimethyl orthoformate (6 mL) was stirred and reacted for 1 hr at 80 °C and under nitrogen protection. After completion of the reaction, the mixture was concentrated under vacuum. The residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate = 9:1) to afford 6-bromobenzo[d]oxazole (980 mg, 93% yield) as a brown solid.LC-MS analysis showed no specific mass peaks and retention time tR = 1.73 min.

References

[1] Patent: WO2017/176961, 2017, A1. Location in patent: Paragraph 00510

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