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| | 5-Fluoro-2-methylbenzoxazole Basic information |
| Product Name: | 5-Fluoro-2-methylbenzoxazole | | Synonyms: | fluoromethylbenzoxazole;5-FLUORO-2-METHYLBENZOXAZOLE 97+%;5-Fluoro-2-methylbenzo[d]oxazole;5-Fluoro-2-methyl-1,3-benzoxazole;5-Fluoro-2-methylbenzoxazole>;Benzoxazole, 5-fluoro-2-methyl-;5-Fluoro-2-methylbenzoxazole | | CAS: | 701-16-6 | | MF: | C8H6FNO | | MW: | 151.14 | | EINECS: | | | Product Categories: | | | Mol File: | 701-16-6.mol |  |
| | 5-Fluoro-2-methylbenzoxazole Chemical Properties |
| Boiling point | 90°C 10mm | | density | 1.23 | | refractive index | 1.5210 to 1.5240 | | storage temp. | Sealed in dry,Room Temperature | | pka | 1.05±0.10(Predicted) | | Specific Gravity | 1.23 | | Appearance | Yellow to orange Liquid |
| | 5-Fluoro-2-methylbenzoxazole Usage And Synthesis |
| Uses | 5-Fluoro-2-Methylbenzoxazole is used as a reactant in the preparation of benzothiadiazine compounds as CD73 inhibitors. | | Synthesis | Procedure for the synthesis of 5-fluoro-2-methylbenzoxazole: 2-amino-4-fluorophenol (1.01 g, 7.95 mmol, 1.0 eq.), triethyl orthoacetate (1.60 mL, 8.7 mmol, 1.1 eq.), and bismuth(III) trifluoromethanesulfonate (50 mg) were mixed and stirred for 30 min at room temperature. Upon completion of the reaction, the reaction mixture was diluted with dichloromethane and purified by rapid chromatography on silica gel (eluent: dichloromethane) to afford 5-fluoro-2-methylbenzoxazole as a clear liquid in a yield of 1.045 g (87% yield). The liquid could be converted to a crystalline solid at lower than 5 °C. Mass spectrum (MALDI-TOF): MH+ = 152. UV/Vis spectrum (methanol): maximum absorption wavelength λmax = 282, 276, 230 nm. 1H NMR (400 MHz, CDCl3): δ 2.60 (s, 3H), 7.02 (1H, td), 7.33 (1H, dd), 7.39 (1H, dd). | | References | [1] Patent: WO2008/40994, 2008, A2. Location in patent: Page/Page column 25
[2] Patent: WO2017/98421, 2017, A1. Location in patent: Page/Page column 223 |
| | 5-Fluoro-2-methylbenzoxazole Preparation Products And Raw materials |
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