4-Oxazolecarboxylicacid, 2-broMo-

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4-Oxazolecarboxylicacid, 2-broMo- Basic information
Application
Product Name:4-Oxazolecarboxylicacid, 2-broMo-
Synonyms:2-bromo-1,3-oxazole-4-carboxylic acid;2-bromo-4-Oxazolecarboxylic acid;4-Oxazolecarboxylicacid, 2-broMo-;2-BroMooxazole-4-carboxylic acid
CAS:1167055-73-3
MF:C4H2BrNO3
MW:191.97
EINECS:
Product Categories:
Mol File:1167055-73-3.mol
4-Oxazolecarboxylicacid, 2-broMo- Structure
4-Oxazolecarboxylicacid, 2-broMo- Chemical Properties
Boiling point 363.0±34.0 °C(Predicted)
density 2.038±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka3.00±0.10(Predicted)
AppearanceWhite to off-white Solid
Safety Information
MSDS Information
4-Oxazolecarboxylicacid, 2-broMo- Usage And Synthesis
Application2-Bromooxazole-4-carboxylic acid can be used as a pharmaceutical synthesis intermediate. It is prepared by reacting ethyl 2-bromooxazole-4-carboxylate with lithium hydroxide. 2-Bromooxazole-4-carboxylic acid can also be used to prepare IRAK inhibitors.
Synthesis
Ethyl 2-bromo-1,3-oxazole-4-carboxylate

460081-20-3

4-Oxazolecarboxylicacid, 2-broMo-

1167055-73-3

General procedure for the synthesis of 2-bromooxazole-4-carboxylic acid from ethyl 2-bromooxazole-4-carboxylate: ethyl 2-bromo-1,3-oxazole-4-carboxylate (2.5 g, 11.36 mmol) was dissolved in a mixed solvent of THF and methanol (9:1, v/v/v), and 1 M aqueous lithium hydroxide (22.73 mL, 22.73 mmol) was slowly added. The reaction mixture was stirred at room temperature for 1 h. The reaction mixture was diluted with water and the pH was adjusted with dilute hydrochloric acid to 2. The precipitate was filtered and dried to give 2-bromoxazole-4-carboxylic acid (1.1 g). The filtrate was extracted three times with ethyl acetate, the organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 2-bromoxazole-4-carboxylic acid (0.85 g). The total yield was 88%. Mass spectrometry analysis showed m/z [M+H]+ of 192.0.

References[1] Patent: WO2011/51540, 2011, A1. Location in patent: Page/Page column 152
4-Oxazolecarboxylicacid, 2-broMo- Preparation Products And Raw materials
Raw materialsEthyl 2-bromo-1,3-oxazole-4-carboxylate-->Tetrahydrofuran-->Lithium hydroxide-->Methanol
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