1,3-BENZOXAZOLE-5-CARBOXYLIC ACID Chemical Properties

Melting point:

241-242℃

Boiling point:

350.1±15.0 °C(Predicted)

Density 

1.455

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

3.50±0.30(Predicted)

Appearance

Off-white to light yellow Solid

InChI

InChI=1S/C8H5NO3/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)

InChIKey

WJBOXEGAWJHKIM-UHFFFAOYSA-N

SMILES

O1C2=CC=C(C(O)=O)C=C2N=C1

Safety Information

HS Code 

2934999090

1,3-BENZOXAZOLE-5-CARBOXYLIC ACID Usage And Synthesis

Synthesis

Synthesis of benzoxazole-5-carboxylic acid: 3-amino-4-hydroxybenzoic acid (500 mg, 3.26 mmol) was mixed with trimethyl orthoformate (5 mL) under argon protection and the reaction was heated at 65°C for 2 hours. After completion of the reaction, the mixture was cooled to room temperature, filtered and washed with hexane. The filtrate was concentrated in vacuum to give a white solid product benzoxazole-5-carboxylic acid (78 mg, 15% yield). The product was characterized by the following data: 1H NMR (500 MHz, CDCl3): δ 8.57 (d, J = 1.5 Hz, 1H), 8.20 (dd, J = 8.4, 1.8 Hz, 1H), 8.20 (s, 1H), 7.67 (d, J = 9.0 Hz, 1H). Mass spectrum (MS): m/z 164 (M + H).

References

[1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 24, p. 8219 - 8248
[2] Patent: US2005/84506, 2005, A1. Location in patent: Page/Page column 40
[3] Patent: EP1229027, 2002, A1. Location in patent: Page 18
[4] Patent: EP1229028, 2002, A1. Location in patent: Page 18
[5] Patent: EP1229037, 2002, A1. Location in patent: Page 17

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