| Identification | More | [Name]
4-Chloro-2-fluorophenylboronic acid | [CAS]
160591-91-3 | [Synonyms]
4-CHLORO-2-FLUOROBENZENEBORONIC ACID
4-CHLORO-2-FLUOROPHENYLBORONIC ACID
AKOS BRN-0717
4-Chloro-2-fluorobenzeneboronic acid 98%
4-Chloro-2-fluorobenzeneboronicacid98%
4-chloro-2-fluorobenzenboronic acid | [Molecular Formula]
C6H5BClFO2 | [MDL Number]
MFCD02684293 | [Molecular Weight]
174.37 | [MOL File]
160591-91-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
248-250 | [Boiling point ]
289.2±50.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
8.19±0.58(Predicted) | [color ]
White to Light yellow | [Water Solubility ]
Insoluble in water. | [InChI]
InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H | [InChIKey]
YBNDRTRLXPEWKQ-UHFFFAOYSA-N | [SMILES]
B(C1=CC=C(Cl)C=C1F)(O)O | [CAS DataBase Reference]
160591-91-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29319090 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Uses]
suzuki reaction | [Synthesis]
To a 2L round bottom flask was added 1-bromo-4-chloro-2-fluorobenzene (50 g, 238.7 mmol) and anhydrous tetrahydrofuran (900 ml), and the mixture was cooled to -78°C with stirring. Slowly n-butyllithium (2.5 M hexane solution, 100 ml, 250 mmol) was added dropwise and stirred continuously for 1 hour at this temperature. Subsequently, trimethyl borate (31.9 ml, 286 mmol) was added slowly and the reaction was continued for 30 minutes. After completion of the reaction, 1N aqueous hydrochloric acid solution (600 ml) was added and gradually warmed up to room temperature while stirring. The organic layer was separated, dried with anhydrous magnesium sulfate and filtered. The solvent was removed by distillation under reduced pressure, and the concentrated product was extracted with a mixture of chloroform and hexane solvents, and finally purified by recrystallization to afford 4-chloro-2-fluorophenylboronic acid (33.7 g, 193.3 mmol) in 81% yield. | [References]
[1] Patent: KR101680413, 2016, B1. Location in patent: Paragraph 0129-0132 |
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