| Identification | Back Directory | [Name]
4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID | [CAS]
909709-42-8 | [Synonyms]
3-Fluoro-4'-n-propylbiphenyl-4-boronic
3-Fluoro-4'-propyl-biphenylboronic acid
3-Fluoro-4'-propyl-4-biphenylboronic Acid
3-Fluoro-4'-propylbiphenyl-4-boronic acid
4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID
(3-fluoro-4'-propyl-4-biphenylyl)boronic acid
[3-Fluoro-4'-propylbiphenyl-4-yl]boronic acid
4-Propyl-3'-Fluorobiphenyl-4'-Boronic Acid N
[2-Fluoro-4-(4-propylphenyl)phenyl]boronic acid
3-fluorine-4-(4-propylphenyl)benzeneboronic acid
3-Fluoro-4'-n-propylbiphenyl-4-boronic acid, 98%
3-Fluoro-4＇-alkyl[1,1＇-biphenyl]-4-yl）-boronic 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'-propyl-4-biphenylboronic Acid (contains varying amounts of Anhydride) | [EINECS(EC#)]
-0 | [Molecular Formula]
C15H16BFO2 | [MDL Number]
MFCD10687198 | [MOL File]
909709-42-8.mol | [Molecular Weight]
258.098 |
| Chemical Properties | Back Directory | [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. ]
Inert atmosphere,2-8°C | [form ]
Solid | [pka]
8.41±0.58(Predicted) | [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 |
| Hazard Information | Back Directory | [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 |
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