|
|
| | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID Basic information |
| Product Name: | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID | | Synonyms: | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID;3-Fluoro-4'-propyl-biphenylboronic acid;(3-Fluoro-4'-propyl[1,1'-biphenyl]-4-yl)boronic acid;BORONIC ACID,B-(3-FLUORO-4'-PROPYL[1,1'-BIPHENYL]-4-YL)-;3-Fluoro-4'-n-propylbiphenyl-4-boronic acid, 98%;3-Fluoro-4'-propyl-4-biphenylboronic Acid;(3-fluoro-4'-propyl-4-biphenylyl)boronic acid;[2-Fluoro-4-(4-propylphenyl)phenyl]boronic acid | | CAS: | 909709-42-8 | | MF: | C15H16BFO2 | | MW: | 258.1 | | EINECS: | 618-687-6 | | Product Categories: | | | Mol File: | 909709-42-8.mol |  |
| | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID Chemical Properties |
| Boiling point | 412.5±55.0 °C(Predicted) | | density | 1.17±0.1 g/cm3(Predicted) | | vapor pressure | 0-0.004Pa at 20-50℃ | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 8.41±0.58(Predicted) | | form | Solid | | color | White to Light yellow | | Water Solubility | Slightly soluble in water. | | InChI | InChI=1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3 | | InChIKey | XZGCBSYWWZAXRC-UHFFFAOYSA-N | | SMILES | B(C1=CC=C(C2=CC=C(CCC)C=C2)C=C1F)(O)O | | LogP | 4.9 at 25℃ and pH6.4 |
| | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID Usage And Synthesis |
| Chemical Properties | White powder | | Uses | 4''-Propyl-3-fluoro-biphenyl-4-boronic acid | | Synthesis | The general procedure for the synthesis of (3-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid from triisopropyl borate and 3-fluoro-4-propylbiphenyl was as follows: 3-fluoro-4-propylbiphenyl (22.2 g, 0.104 mol) and 150 mL of tetrahydrofuran were added to a reaction vessel equipped with a dropping funnel. The mixture was heated to 70 °C, followed by the slow dropwise addition of 124 mL of sec-butyllithium solution (1.0 mol/L). The reaction mixture was stirred at 70 °C for 2 h. Triisopropyl borate (25.3 g, 0.135 mol) was added dropwise. After continued stirring for 2 hours, the reaction mixture was cooled to 0 °C and 300 mL of 10% hydrochloric acid solution was added slowly and dropwise. After stirring for 1 h at room temperature, aqueous washing was performed to remove the salts. Eventually, by concentration and drying treatment, (3-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid (25.7 g, 0.0995 mol) was obtained. | | References | [1] Patent: JP2015/110531, 2015, A. Location in patent: Paragraph 0108; 0110 |
| | 4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID Preparation Products And Raw materials |
|