248270-25-9
3-Fluoro-4-formylbenzeneboronic acid
CAS: 248270-25-9
Molecular Formula: C7H6BFO3
248270-25-9 - Names and Identifiers
248270-25-9 - Physico-chemical Properties
| Molecular Formula | C7H6BFO3 |
| Molar Mass | 167.93 |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Melting Point | 249-250°C |
| Boling Point | 349.3±52.0 °C(Predicted) |
| Flash Point | 165.1°C |
| Vapor Presure | 1.77E-05mmHg at 25°C |
| Appearance | Solid |
| Color | White to Light yellow |
| pKa | 6.26±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.524 |
| MDL | MFCD02093051 |
248270-25-9 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29319090 |
| Hazard Class | IRRITANT |
248270-25-9 - Reference Information
| application | 3-fluoro-4-aldehyde phenylboronic acid is an organic intermediate that can be used in suzuki coupling reactions, mainly used in laboratory research and development processes and chemical production processes. |
| 0.97g of compound 2 is added to the synthetic three-neck bottle for preparing | compound 3, 15mL of dichloromethane is added for dissolution, 1.64g of methyl-trifluoromethyl sulfonate is added for dissolution in 2mL of dichloromethane solution under N2 protection, stirring for reaction for 3h at room temperature, the reaction solution gradually changes from light yellow to green, finally changes to red, and a large amount of precipitation occurs in the reaction solution. Filter the precipitate and rinse the precipitate with cold 20mL dichloromethane and 50mL ether respectively. The precipitate gradually turns white and is vacuum dried to obtain compound 3. Compound 3 is white powder, and the yield of this step is 88%. In the synthetic three-neck flask of compound 4, 1.67g K2.2.2, 0.5g K2CO3, 438mg KF are added, 30mL anhydrous dimethyl sulfoxide is added from a dropping funnel to dissolve, under an oil bath of 120-130 ℃, heated and stirred for 1h, 1.05g compound 3 is dissolved in 10mL anhydrous dimethyl sulfoxide, slowly dripped into the reaction solution from the dropping funnel, and the reaction solution changes to deep caramel color with the dropping of compound 3, reflux at 120-130 ℃, stop the reaction, cool to room temperature, distill the solvent dimethyl sulfoxide under reduced pressure, dissolve the distillation residue with methanol, Sep-Pak C18 solid phase extraction column, elute with diethyl ether, 0.5mol/L HCl solution and water respectively, and finally elute with dichloromethane, add anhydrous magnesium sulfate to dry the eluate, filter, spin evaporate to dry the filtrate, obtain yellowish brown solid, and dry in vacuum to obtain compound 4. Compound 4 is light yellow powder, and the yield of this step is 57%. |
Last Update：2024-04-10 22:29:15
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