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CAS No. : | 405-04-9 | MDL No. : | MFCD00215834 |
Formula : | C7H4FNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DPSSSDFTLVUJDH-UHFFFAOYSA-N |
M.W : | 137.11 | Pubchem ID : | 2782944 |
Synonyms : |
|
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 | UN#: | |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With boron tribromide; In dichloromethane; at 0℃; for 72h;Inert atmosphere; Reflux; | BBr3 (20 mL, 0.211 mol) was added to <strong>[331-62-4]3-fluoro-4-methoxybenzonitrile</strong> (15.6 g, 0.103 mol) in dichloromethane (100 mL) at 0 °C. The mixture was refluxed for 3 days under a nitrogen atmosphere. The reaction mixture was quenched with ice water and extracted with dichloromethane. The organic layer was washed with water and brine and then dried over sodium sulfate. Solvent evaporation under reduced pressure gave 13.3 g (94percent) of the product as a gray solid. :H NMR (400 MHz, CDC13) delta 7.38-7.42 (m, 2H), 7.09 (dd, J= 8.8 Hz, 8.4 Hz, 1H), 5.68 (s, 1H). |
BBr3 (23 ml, 0.242 mol) was added to 3-Fluoro-4-methoxy-benzonitrile (24.4 g, 0.16 mol) in dichloromethane (200 ml) at -78 °C and stirring continued overnight at room temperature. Another portion of BBr3 (23 ml, 0.242 mol) was added at -78 °C and stirring continued at RT for 2 days under nitrogen atmosphere. The reaction mixture was quenched with ice water and extracted with dichloromethane. Organic layer was washed with water and brine, and dried over sodium sulfate. Solvent evaporation under reduced pressure gave 20 g of the sub-title compound as a solid. This was taken for next step without further purification. | ||
(iv) 3-Fluoro-4-hvdroxybenzonitrileBBr3 (23 mL, 0.242 mol) was added to 3-fluoro-4-niethoxy-benzonitrile (24.4 g,0.16 mol; see step (iii) above) in dichloromethane (200 mL) at -78°C. Stirring was continued at room temperature overnight. Another portion of BBr3 (23 mL, 0.242 mol) was added at -780C and stirring was continued at RT for a further 2 days under a nitrogen atmosphere. The reaction mixture was quenched with ice water and extracted with dichloromethane. The organic layer was washed with water and brine, and then dried over sodium sulfate. Solvent evaporation under reduced pressure gave 20 g of the sub-title compound as a solid. This was employed directly in the next step without further purification. |
With boron tribromide; In dichloromethane; at -78 - 20℃; for 48h; | BBr3 (23 mL, 0.242 mol) was added to <strong>[331-62-4]3-fluoro-4-methoxy-benzonitrile</strong> (24.4 g, 0.16 mol; see step (iii) above) in dichloromethane (200 mL) at -78°C. Stirring was continued at room temperature overnight. Another portion of BBr3 (23 mL, 0.242 mol) was added at -78°C and stirring was continued at RT for a further 2 days under a nitrogen atmosphere. The reaction mixture was quenched with ice water and extracted with dichloromethane. The organic layer was washed with water and brine, and then dried over sodium sulfate. Solvent evaporation under reduced pressure gave 20 g of the sub-title compound as a solid. This was employed directly in the next step without further purification. |
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