| Identification | More | [Name]
3,5-Difluorophenylboronic acid | [CAS]
156545-07-2 | [Synonyms]
3,5-DIFLUOROBENZENEBORONIC ACID
3,5-DIFLUOROPHENYLBORONIC ACID
AKOS BRN-0091
RARECHEM AH PB 0167
Boronic acid, (3,5-difluorophenyl)-(9CI)
3,5-Difluorobenzeneboronic acid 98%
3,5-Difluorobenzeneboronicacid98%
3,5-DIFLUOROPHENYLBORONIC ACID 98%
3,5-Difluorophenylboronic Acid (contains varying amounts of Anhydride)
3,5-Difluorobenzeneboronic acid, 97+% | [EINECS(EC#)]
605-060-7 | [Molecular Formula]
C6H5BF2O2 | [MDL Number]
MFCD01318138 | [Molecular Weight]
157.91 | [MOL File]
156545-07-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to beige-yellowish powder | [Melting point ]
210-217 °C (lit.) | [Boiling point ]
266.9±50.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [storage temp. ]
0-6°C | [form ]
powder | [pka]
6.46±0.10(Predicted) | [color ]
White to Orange to Green | [Usage]
Intermediates of Liquid Crystals | [BRN ]
6800882 | [InChI]
InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H | [InChIKey]
QWQBQRYFWNIDOC-UHFFFAOYSA-N | [SMILES]
B(C1=CC(F)=CC(F)=C1)(O)O | [CAS DataBase Reference]
156545-07-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn,F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20:Harmful by inhalation.
R19:May form explosive peroxides.
R11:Highly Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S33:Take precautionary measures against static discharges .
S16:Keep away from sources of ignition-No smoking . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29319099 |
| Hazard Information | Back Directory | [Chemical Properties]
White to beige-yellowish powder | [Uses]
Intermediates of Liquid Crystals | [Uses]
Reactant involved in:• ;Synthesis of honokiol analogs as angiogenesis inhibitors1• ;Homo-coupling reactions2• ;Suzuki-Miyaura cross-coupling reactions3• ;Enantioselective borane reduction of trifluoroacetophenone4 | [Uses]
suzuki reaction | [Synthesis]
(1) A solution was prepared by dissolving 100 g of 3,5-difluorobromobenzene in 150 mL of tetrahydrofuran (THF) under nitrogen protection. The solution was slowly added dropwise to a mixture containing 13.85 g of magnesium shavings and 55 mL of THF at a controlled titration rate to keep the reaction system at mild reflux. (2) After the dropwise addition was completed, the reaction mixture was stirred at 40°C for 1 hour and subsequently cooled in an ice bath. (3) A solution prepared from 64.59 g of trimethyl borate dissolved in 130 mL of THF was slowly added dropwise under ice bath cooling. After completion of the dropwise addition, the ice bath was removed and the reaction mixture was continued to be stirred at room temperature for 1 hour. (4) 10% hydrochloric acid solution was added dropwise to the reaction system until the system became acidic, followed by stirring at room temperature for 30 minutes. (5) The organic layer was separated and the aqueous layer was extracted with hexane. The organic layer and hexane extract were combined and washed with saturated saline. (6) The washed organic layer was dried by adding anhydrous sodium sulfate, filtered and distilled under reduced pressure to remove the solvent to obtain 71.65 g of 3,5-difluorophenylboronic acid. | [References]
[1] Patent: US5521192, 1996, A
[2] Patent: US6908914, 2005, B1
[3] Patent: EP2123623, 2009, A1. Location in patent: Page/Page column 43-44
[4] Patent: US2014/275577, 2014, A1. Location in patent: Paragraph 0094 |
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