156545-07-2
3,5-Difluorophenylboronic acid
CAS: 156545-07-2
Molecular Formula: C6H5BF2O2
156545-07-2 - Names and Identifiers
| Name | 3,5-Difluorophenylboronic acid |
| Synonyms | AKOS BRN-0091 RARECHEM AH PB 0167 3,5-Difluorophenylboronic acid 3,5-DIFLUOROPHENYLBORONIC ACID 3,5-DIFLUOROBENZENEBORONIC ACID 3,5-Difluorobenzeneboronic acid (3,5-dimethoxyphenyl)boronic acid Boronic acid,(3,5-difluorophenyl)-(9CI) Boronic acid, (3,5-difluorophenyl)- (9CI) [4-(benzyloxy)-2,3-difluorophenyl]boronic acid |
| CAS | 156545-07-2 |
| EINECS | 605-060-7 |
| InChI | InChI=1/C13H11BF2O3/c15-12-10(14(17)18)6-7-11(13(12)16)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2 |
156545-07-2 - Physico-chemical Properties
| Molecular Formula | C6H5BF2O2 |
| Molar Mass | 157.91 |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Melting Point | 210-217 °C (lit.) |
| Boling Point | 266.9±50.0 °C(Predicted) |
| Flash Point | 206.2°C |
| Vapor Presure | 1.04E-07mmHg at 25°C |
| Appearance | Crystalline powder |
| BRN | 6800882 |
| pKa | 6.46±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.562 |
| MDL | MFCD01318138 |
| Physical and Chemical Properties | Melting Point 210-217°C |
156545-07-2 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20 - Harmful by inhalation R19 - May form explosive peroxides R11 - Highly Flammable R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S33 - Take precautionary measures against static discharges. S16 - Keep away from sources of ignition. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
156545-07-2 - Reference Information
| application | 3, 5-difluorophenylboronic acid is a fluorophenylboronic acid, which is a yellow solid. Fluorophenylboronic acid is a kind of organic synthesis and pharmaceutical and chemical intermediates that are relatively stable in the air, insensitive to moisture, can be stored for a long time and have high reactivity. The Suzuki coupling reaction of fluorophenylboronic acid and halogenated aromatic hydrocarbons has good position selectivity and stereoselectivity. Various chemical functional groups do not change in the reaction. The reaction conditions are mild and the yield is high. It is an important way to form C- C bonds. |
| prepare | 5L three-mouth bottle with 62g(2.6mol) of magnesium chips and 750ml of tetrahydrofuran, a spherical condenser tube with a drying tube and a dropping funnel, 482.5g(2.5mol) of 3,5-difluorobromobenzene and 1500ml of tetrahydrofuran (confirming the reaction initiation) dropwise, add heat and reflux for 0.5 hours after adding, and keep positive pressure with nitrogen, stir, cool to -50 ℃ in a low-temperature bath, add 850g(3.7mol)-500ml tetrahydrofuran solution dropwise, when the reaction solution is lower than -50 ℃, use about 1.5 hours, stir in the bath for 5 minutes after adding, then stir to room temperature, leave overnight, add 500ml concentrated hydrochloric acid (analytically pure, the same below)-1000ml water for hydrolysis, stir for 1 hour; then add 2L of ethyl acetate, separate the liquid, saturated salt water wash to neutral; water bath decompression steam solvent, cooling to room temperature, suction filtration, 3, 5-difluorophenylboronic acid. Yield: 296g (75% of theoretical value), melting point: 210 ℃. |
Last Update：2024-04-09 15:16:39
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