4-(Trifluoromethyl)phenylboronic acid
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4-(Trifluoromethyl)phenylboronic acid
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CAS No:
128796-39-4
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Formula:
C7H6BF3O2
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Chemical Name:
4-(Trifluoromethyl)phenylboronic acid
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Synonyms:
Boronic acid,B-[4-(trifluoromethyl)phenyl]-;Boronic acid,[4-(trifluoromethyl)phenyl]-;B-[4-(Trifluoromethyl)phenyl]boronic acid;4-(Trifluoromethyl)phenylboronic acid;4-(Trifluoromethyl)benzeneboronic acid;α,α,α-Trifluoro-p-tolylboronic acid;[p-(Trifluoromethyl)phenyl]boronic acid;2093414-97-0
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CAS No:
Characteristics
40.5
0.38520
white powder
1.36±0.1 g/cm3(Predicted)
230-235 °C (decomp)
258.6±50.0 °C(Predicted)
110.2±30.1 °C
1.462
soluble in DMSO, not in water
0-6ºC
0.00696mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
R36/37/38
37/39-26-36
Xi,Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (82%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(Trifluoromethyl)phenylboronic acid Use and Manufacturing
Synthesis of 9-bromo-10-(4-trifluoromethylphenyl)anthracene; (i) Synthesis of 4-trifluoromethylphenylboronic acid; A synthesis scheme of 4-trifluoromethylphenylboronic acid is shown in (E-I). [0282]1 ) n-BuLi, THF, -78General procedure: To a solution of arylamine (0.5 mmol, 1.0 equiv) in MeOH(1.0 mL) was added HCl (0.5 mL, 1.5 mmol, 3.0 equiv), followed by H2O (0.5 ml). This mixture was stirred 2 min, and the NaNO2 solution (0.25 mL) was then added. The NaNO2 solution was prepared by dissolving 35 mg ofNaNO2 in H2O (0.25 mL). This mixture was stirred 30 minat 0–5 °C, followed by HCl (135 mg, 1.5 mmol, 3.0 equivalents) in MeOH (1.0 mL). This mixture was stirred 60min. H2O (10 mL) was added to reaction mixture, then extracted with CH2Cl2 (50 mL, 3×). The combined organic layer was dried over Na2SO4, followed by evaporation to give the products.In 500 ml four-mouth reaction flask, add 5.76 g magnesium chips, then heating and drying under the protection of nitrogen. Then 0.2 g of iodine, 32 g bis(dimethylamino)chloroborane and 50 ml tetrahydrofuran were added to the reaction flask. Then start dropping 6 g of 4-chlorotrifluoromethylbenzene and 30 ml tetrahydrofuran mixed solution, stirring for half an hour. Continue to drop 30.1 g of 4-chlorotrifluoromethylbenzene and 150 ml tetrahydrofuran mixed solution. The solution temperature maintained at 20 - 30 degrees, after 2 hours adding was complete. Then the mixed solution was cooled to 0 degrees, add 100 ml saturated ammonium chloride solution, continuously stir for 1 hour. Allow to stand to separate the phases. To the aqueous phase, use 100 ml ethyl acetate to extract. The combined organic layer, for drying of magnesium sulfate, concentrated under reduced pressure. For the residue 150 mL65 °C of ethyl acetate to dissolve, then in 2 hours to cool down to room temperature, and then the 1 hours by adding 600 ml of normal hexane, stirring 3 hours, filter and get the 22.8 g white solid 4-trifluoromethylphenylboronic acid, yield 60percent.
suzuki reaction 50
Computed Properties
Molecular Weight:189.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:190.0412941
Monoisotopic Mass:190.0412941
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(Trifluoromethyl)phenylboronic acid
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