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| | 7-Bromo-5-fluoro-1,4-benzodiazine Basic information |
| | 7-Bromo-5-fluoro-1,4-benzodiazine Chemical Properties |
| Boiling point | 299.0±35.0 °C(Predicted) | | density | 1.741±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | -1.77±0.30(Predicted) | | Appearance | Light brown to brown Solid | | InChI | InChI=1S/C8H4BrFN2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h1-4H | | InChIKey | MWNUJVQOZMVOAW-UHFFFAOYSA-N | | SMILES | N1C2C(=C(F)C=C(Br)C=2)N=CC=1 |
| | 7-Bromo-5-fluoro-1,4-benzodiazine Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 7-bromo-5-fluoroquinoxaline from 2,3-dihydroxy-1,4-dioxane and 5-bromo-3-fluorobenzene-1,2-diamine: 4.00 g (19.509 mmol) of 5-bromo-3-fluorobenzene-1,2-diamine was dissolved in 100 mL of ethanol and 2.42 g (19.509 mmol) of 2,3-dihydroxy-1,4 -dioxane. The reaction mixture was stirred at room temperature for 4 hours, followed by the addition of 2.42 g (19.509 mmol) of 2,3-dihydroxy-1,4-dioxane again. After continued stirring at room temperature for 24 h, the reaction mixture was concentrated using a rotary evaporator. The residue was purified by silica gel column chromatography with dichloromethane/methanol (30:1, v/v) as eluent. Finally, 3.60 g (80% yield) of the target product 7-bromo-5-fluoroquinoxaline was obtained.LC-MS (Method 1): retention time (R t) = 1.79 min; mass spectrum (EIpos): m/z = 227 [M + H]+.1H-NMR (400 MHz, DMSO-d6): δ (ppm) = 8.06 (dd, 1H), 8.24 ( t, 1H), 9.05 (d, 1H), 9.07 (d, 1H). | | References | [1] Patent: WO2010/20363, 2010, A1. Location in patent: Page/Page column 117 |
| | 7-Bromo-5-fluoro-1,4-benzodiazine Preparation Products And Raw materials |
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