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Home > Encyclopedia > 2-Trifluoromethylphenylboronic acid

2-Trifluoromethylphenylboronic acid

2-Trifluoromethylphenylboronic acid structure

2-Trifluoromethylphenylboronic acid 

structure
  • CAS No:

    1423-27-4

  • Formula:

    C7H6BF3O2

  • Chemical Name:

    2-Trifluoromethylphenylboronic acid

  • Synonyms:

    Boronic acid,B-[2-(trifluoromethyl)phenyl]-;o-Tolueneboronic acid,α,α,α-trifluoro-;Boronic acid,[2-(trifluoromethyl)phenyl]-;B-[2-(Trifluoromethyl)phenyl]boronic acid;2-Trifluoromethylbenzeneboronic acid;2-Trifluoromethylphenylboronic acid;1695577-90-2;2093414-94-7

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Trifluoromethylphenylboronic acid Basic Attributes

189.93

189.93

DTXSID60370276

2931900090

Characteristics

40.5

0.38520

white to light beige crystalline powder

1.4±0.1 g/cm3

106-107 °C

274.5°C at 760 mmHg

119.8±30.1 °C

1.462

0-6ºC

Safety Information

NONH for all modes of transport

3

R36/37/38

S37/39-S26

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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Trifluoromethylphenylboronic acid Use and Manufacturing

In 250 ml three-mouth reaction flask, add 2.3 g magnesium chips, then heating and drying under the protection of nitrogen. Then 0.1 g iodine, 12.8 g bis(dimethylamino)chloroborane and 30 ml tetrahydrofuran were added to the reaction flask. Then start to drop 2.4 g 2-chloro(trifluoromethyl)benzene and 20 ml tetrahydrofuran mixed solution, stir for half an hour. Continue to drop 12.0 g of 2-chloro(trifluoromethyl)benzene and 100 ml tetrahydrofuran mixed solution. The solution temperature maintained at 20 - 30 degrees. After 2 hours addition completed. Then the mixed solution is cooled to 0 degrees, add 50 ml saturated ammonium chloride solution, continuously stirred for 1 hour. Allow to stand to separate the phases. To the aqueous phase, use 70 ml ethyl acetate to extract. The combined organic layer, for drying of magnesium sulfate, concentrated under reduced pressure. For the residue 80 mL65 °C hot ethyl acetate dissolved, then in 2 hours to cool down to room temperature, and then the 1 hours by adding 300 ml of normal hexane, stirring 3 hours, filtering to obtain 7.9 g white solid 2-trifluoromethylphenylboronic acid, yield 52percent.Part A. Part A.

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:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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