4-(Trifluoromethoxy)benzeneboronic acid
4-(Trifluoromethoxy)benzeneboronic acid
CAS: 139301-27-2
Molecular Formula: C7H6BF3O3
4-(Trifluoromethoxy)benzeneboronic acid - Names and Identifiers
4-(Trifluoromethoxy)benzeneboronic acid - Physico-chemical Properties
| Molecular Formula | C7H6BF3O3 |
| Molar Mass | 205.93 |
| Density | 1.41±0.1 g/cm3(Predicted) |
| Melting Point | 123-127°C(lit.) |
| Boling Point | 256.6±50.0 °C(Predicted) |
| Flash Point | 109°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.00786mmHg at 25°C |
| Appearance | White to Beige Crystalline Powder |
| Color | White to beige |
| BRN | 8548201 |
| pKa | 8.29±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.461 |
| MDL | MFCD01074648 |
| Physical and Chemical Properties | Melting point 123-127°C(lit.) storage conditions 0-6°C BRN 8548201 |
4-(Trifluoromethoxy)benzeneboronic acid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection 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 Note | Irritant |
4-(Trifluoromethoxy)benzeneboronic acid - Reference Information
| Application | 4-trifluoromethoxyphenylboronic acid is widely used in Suzuki cross-coupling reactions. Suzuki-Miyaura coupling reaction (SMC) is an important reaction for constructing various C- C single bonds. Its main raw material is organic boric acid compound. Among them, 4-trifluoromethoxyphenylboronic acid is an important compound in organic boronic acid compounds, which has important application value in organic synthesis and pharmaceutical and chemical fields. |
| Preparation | Treatment of 1-bromo-4-(trifluoromethoxy) benzene (1.69kg) and triisopropyl borate (1.46 kg) in THF(6.75 L) with 2.25 M butyl lithium hexane solution (3.27 L) within 2.3 hours for 2.3 hours. After stirring for 10 minutes, treat with 6M HCl(1.52 L) within 50 minutes, stir for 18 hours at room temperature, and pour into a mixture of heptane (8.43 L) and 20%(w/w) sodium chloride (8.44 kg). The mixture was stirred for 10 minutes and separated into a water part and an organic part. Concentrate the organic fraction to provide a white paste. The paste was dried with a nitrogen stream at ambient temperature for 2 days under vacuum (100mmHg), and then dried at 40-50°C for 18 hours to provide 1.306kg(90.4%) of the desired product as a solid. |
Last Update：2024-04-10 22:29:15
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