3,5-Bis(trifluoromethyl)benzeneboronic acid
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3,5-Bis(trifluoromethyl)benzeneboronic acid
structure -
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CAS No:
73852-19-4
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Formula:
C8H5BF6O2
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Chemical Name:
3,5-Bis(trifluoromethyl)benzeneboronic acid
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Synonyms:
RARECHEM AH PB 0029;3,5-Bis(trifluoromethyl)benzeneboronic acid, 97+%;3,5-Bis(trifluoromethyl)phenylboranic acid;Boric acid 3,5-bis(trifluoromethyl)phenyl ester;3,5-Bis(trifluoromethyl)benzeneboronic acid,95%;3,4-Bis(trifluoromethyl) phenylboronic acid;5-Bis(trifluoroMethyl)phenylboronic acid;3,5-Bis(trifloroMethyl)phenylboronic acid
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CAS No:
3,5-Bis(trifluoromethyl)benzeneboronic acid Basic Attributes
257.93
258.028687
7379990
-0
DTXSID00224421
29163990
Characteristics
40.5
White to light yellow Crystals or Powder
1.5±0.1 g/cm3
217-220 °C(lit.)
103.8±30.1 °C
1.420
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,5-Bis(trifluoromethyl)benzeneboronic acid Use and Manufacturing
Bar magnet, 500 ml with a funnel, a condenser and a nitrogen inlet for adding three-neck dried round bottom flask, magnesium turning of 9.30 g in a nitrogen atmosphere under a reactor (Aldrich Co.) and purified by distillation in tetrahydrofuran (Fisher, Inc.) It was added to 220 ml. The temperature of the reaction was maintained by the ice into the range 0 to 5 . Keeping the temperature of the reaction and was added to the 3 ', 5'-bis (trifluoromethyl) bromobenzene (Aldrich (Aldrich) Co., Ltd.) 44.0 ml using a funnel and slowly added over 1 hour. The reaction solution was slowly allowed to reach room temperature after the addition was completed, and added for 16 hours reaction at room temperature reaction, to give a viscous solution of a dark brown. After using the viscous solution was cooled to -70 on a dry ice and acetone maintained , Dropwise using an addition funnel 28.97 ml of trimethyl borate (Aldrich Co.) to the viscous solution and allowed to react.After the addition was completed, the reaction was allowed to stand to reach room temperature and was added to the reaction at room temperature for 12 hours to obtain a viscous solution of the brown. While maintaining the viscous solution to below 0 using the ice, the aqueous hydrochloric acid solution (37 wtpercent) solution was mixed with 63.3 ml of distilled water 144.5 ml was added over 1 hour, followed by further reaction for 24 hours of the water-soluble gum to give a red organic compound separated using a separating funnel and after completion of the reaction mixture the organic layer was dried under reduced pressure. The residue obtained after drying the solid is purified by recrystallization in a solvent of distilled water, and the 3 'and then collecting the resulting white crystals were washed with petroleum ether and dried for 24 hours at ambient temperature / atmospheric pressure the desired compound, 5'-bis (trifluoromethyl) benzene boronic acid (6FBB) (19.44g, yield: 85percent).
suzuki reaction
Computed Properties
Molecular Weight:257.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:258.0286785
Monoisotopic Mass:258.0286785
Topological Polar Surface Area:40.5
Heavy Atom Count:17
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5-Bis(trifluoromethyl)benzeneboronic acid
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