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| | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester Basic information |
| Product Name: | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester | | Synonyms: | AKOS B024670;AKOS BBS-00002559;ART-CHEM-BB B024670;METHYL 5-PHENYLISOXAZOLE-3-CARBOXYLATE;METHYL 5-PHENYL-3-ISOXAZOLECARBOXYLATE;JR-7047, Methyl 5-phenylisoxazole-3-carboxylate, 97%;Methyl 5-phenyl-1,2-oxazole-3-carboxylate;3-Isoxazolecarboxylic acid, 5-phenyl-, Methyl ester | | CAS: | 51677-09-9 | | MF: | C11H9NO3 | | MW: | 203.19 | | EINECS: | | | Product Categories: | | | Mol File: | 51677-09-9.mol |  |
| | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester Chemical Properties |
| Melting point | 81°C | | Boiling point | 370.2±30.0 °C(Predicted) | | density | 1.204±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | -6.43±0.28(Predicted) | | Appearance | White to off-white Solid | | InChI | 1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3 | | InChIKey | XMPLCJOQBDGMKT-UHFFFAOYSA-N | | SMILES | COC(=O)c1cc(on1)-c2ccccc2 |
| Hazard Codes | Xi | | HazardClass | IRRITANT | | HS Code | 2934999090 | | Storage Class | 11 - Combustible Solids |
| | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester Usage And Synthesis |
| Uses | Methyl 5-Phenylisoxazole-3-carboxylate is a useful reagent for reactions with isoxazoles. | | Synthesis | GENERAL METHODS: Alkyne oxime ether 1 (0.15 mmol) was dissolved in THF (5 mL) and phenol (28 mg, 0.3 mmol) and AgBF4 (5.8 mg, 0.03 mmol) were added sequentially. The reaction system was equipped with a drying tube (filled with silica gel) and heated to reflux at 50 °C in an oil bath. The reaction process was monitored by TLC with continuous stirring for 1-12 hours. After completion of the reaction, the reaction mixture was concentrated under reduced pressure. The residue was purified by preparative thin layer chromatography (unfolding reagent: hexane/ethyl acetate = 3-10:1) to afford the target product methyl 5-phenylisoxazole-3-carboxylate (3a and 3j). The physical properties and spectral data of the obtained compounds were in agreement with those reported in the literature. | | References | [1] Tetrahedron, 2011, vol. 67, # 25, p. 4612 - 4615 |
| | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester Preparation Products And Raw materials |
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