| Identification | Back Directory | [Name]
Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, Methyl ester | [CAS]
775304-60-4 | [Synonyms]
Ataluren impurity C
Methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-Benzoic acid Methyl ester
Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, Methyl ester | [EINECS(EC#)]
837-181-8 | [Molecular Formula]
C16H11FN2O3 | [MDL Number]
MFCD09971792 | [MOL File]
775304-60-4.mol | [Molecular Weight]
298.27 |
| Chemical Properties | Back Directory | [Boiling point ]
457.2±55.0 °C(Predicted) | [density ]
1.289±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
-3.63±0.50(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
GENERAL METHOD: 2 mmol of methyl (E)-3-(N'-hydroxycarbamoyl)benzoate was dissolved in 200 mL of acetone in a round-bottomed flask; subsequently, 0.35 g (2.5 mmol) of K2CO3 and 2.5 mmol of o-fluorobenzoyl chloride were added to the reaction mixture, and the reaction was stirred for 24 h at room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the residue was treated with an appropriate amount of water and refluxed for 30 minutes. After the reaction mixture was cooled, the 1,2,4-oxadiazole product was collected by filtration and further purified by column chromatography to afford the target compound, methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate. | [References]
[1] European Journal of Medicinal Chemistry, 2015, vol. 101, p. 236 - 244
[2] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 11, p. 2473 - 2476 |
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