2,6-Difluorophenylboronic acid
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2,6-Difluorophenylboronic acid
structure -
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CAS No:
162101-25-9
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Formula:
C6H5BF2O2
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Chemical Name:
2,6-Difluorophenylboronic acid
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Synonyms:
Boronic acid,B-(2,6-difluorophenyl)-;Boronic acid,(2,6-difluorophenyl)-;B-(2,6-Difluorophenyl)boronic acid;2,6-Difluorophenylboronic acid;2,6-Difluorobenzeneboronic acid
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CAS No:
Characteristics
40.5
-0.35540
White to off-white crystalline powder
1.4±0.1 g/cm3
147-149 °C(lit.)
260.1°C at 760 mmHg
111.1±30.1 °C
1.486
soluble in methanol.
0-6°C
0.297mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-22
26-36-37/39
Xi,Xn
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-Difluorophenylboronic acid Use and Manufacturing
General procedure: In a flask containing the appropriate potassiumorganotrifluoroborate (0.5 mmol) in distilled water(1 mL) was added montmorillonite K10 (150percent m/m). Themixture was stirred for the time indicated in Scheme 1at room temperature. After this period, the mixture wasextracted with EtOAc (3 × 10 mL) and the organic phasewas washed with water (2 × 15 mL). The organic phasewas dried over anhydrous MgSO4, filtered and the solventwas removed in vacuo to yield the corresponding boronicacids 2a-o.500 ml of dry reaction flask was replaced with nitrogen, 22.8 g of compound (1), 150 ml of anhydrous ether Liter, and the system was cooled to -78 ° C under nitrogen. The mixture was slowly added dropwise with 187 ml of 1.6 M n-hexane solution of n-butyllithium. After the addition, the reaction was stirred at -60 to -70 ° C 2 hours. The system was re-cooled to -78 ° C, dropping 60 grams of trimethyl borate, dropping finished, the control temperature -50 ~ -60 ° C stirring reaction 2 hours. The reaction was warmed to room temperature, 200 ml of water was added to quench the reaction, and the mixture was acidified with 36percent hydrochloric acid. After the organic solvent was recovered by distillation at elevated temperature, the reaction was stirred at 70 to 80 ° C for 6 hours. The system was cooled to crystallize, filtered and washed with water to obtain 27.0 g of the compound (II)
Intermediates of Liquid Crystals
Computed Properties
Molecular Weight:157.91
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.0350659
Monoisotopic Mass:158.0350659
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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