(3,5-di-tert-butylphenyl)boronic acid
(3,5-di-tert-butylphenyl)boronic acid
CAS: 197223-39-5
Molecular Formula: C14H23BO2
(3,5-di-tert-butylphenyl)boronic acid - Names and Identifiers
(3,5-di-tert-butylphenyl)boronic acid - Physico-chemical Properties
| Molecular Formula | C14H23BO2 |
| Molar Mass | 234.15 |
| Density | 0.98±0.1 g/cm3(Predicted) |
| Melting Point | 182℃ (water ) |
| Boling Point | 333.1±52.0 °C(Predicted) |
| Flash Point | 155.229°C |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Light yellow |
| pKa | 8.74±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.502 |
(3,5-di-tert-butylphenyl)boronic acid - Reference Information
| application | 3, 5-di-tert-butylphenylboronic acid is an alkyl boronic acid compound. Alkyl boric acid compounds are a kind of important organic synthesis intermediates, which can be cross-coupled with electrophiles to prepare drug molecules and play an important role in pharmaceutical chemistry applications. |
| preparation | under nitrogen atmosphere, 26.92g(100mmol,1eq.)3, 5-di-tert-butylbromobenzene is dissolved in 200mL of ultra-dry tetrahydrofuran, the system temperature is reduced to -78 ℃, 60.0mL, 2mol/L of n-butyllithium (120mmol,1.2eq.) hexane solution is slowly added dropwise, reacting at -78 ℃ for 30min, slowly adding 20.69g of triisopropyl borate (110mmol,1.1eq) dropwise, gradually returning to room temperature after 3h of reaction, adding 10.0mL of water for quenching, concentrating the reaction solution, extracting with ethyl acetate, washing with saturated brine, combining the organic phases, drying with anhydrous sodium sulfate, concentrating the filtrate, adding n-hexane for recrystallization and washing to obtain 17.00g of white solid compound 3,5-ditert-butylphenylboric acid with a yield of 72.6%. |
Last Update：2024-04-10 22:29:15
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