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182281-01-2

182281-01-2 Structure

182281-01-2 Structure
IdentificationMore
[Name]

4-(2-Tetrahydropyranyloxy)phenylboronic acid
[CAS]

182281-01-2
[Synonyms]

4-(2-TETRAHYDROPYRANYLOXY)PHENYLBORONIC ACID
4-HYDROXYBENZENEBORONIC ACID THP ETHER
4-HYDROXYPHENYLBORONIC ACID 2-TETRAHYDROPYRANYL ETHER
4-HYDROXYPHENYLBORONIC ACID THP ETHER
4-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONIC ACID
AKOS BRN-0040
4-Hydroxyphenylboronic
4-HYDROXYPHENYLBORONIC ACID THP ETHER 95+%
4-Hydroxybenzeneboronic acid tetrahydro-2H-pyran-2-yl ether
[EINECS(EC#)]

145-852-6
[Molecular Formula]

C11H15BO4
[MDL Number]

MFCD02183525
[Molecular Weight]

222.05
[MOL File]

182281-01-2.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to beige crystalline powder
[Melting point ]

117-124 °C
[Boiling point ]

411.3±55.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

8.63±0.16(Predicted)
[color ]

White to Light yellow
[InChI]

InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2
[InChIKey]

DMGMCZRNMYQQQB-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(OC2OCCCC2)C=C1)(O)O
[CAS DataBase Reference]

182281-01-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29329990
Hazard InformationBack Directory
[Chemical Properties]

off-white to beige crystalline powder
[Uses]

[4-[(Tetrahydro-2H-pyran-2-yl)oxy]phenyl]boronic Acid is a reagent in the synthesis diclhoroacetamide analogs displaying high anti-cancer avtivity. Also used in the synthesis of organic semiconductors.
[Uses]

suzuki reaction
[Synthesis]

2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN

36603-49-3

Triethyl borate

150-46-9

Water

7732-18-5

4-(2-Tetrahydropyranyloxy)phenylboronic acid

182281-01-2

The general procedure for the synthesis of 4-(2'-tetrahydrophenoxy)phenylboronic acid from 2-(4-bromophenoxy)tetrahydro-2H-pyran, triethyl borate, and water (electrophoretic grade) was as follows: tetrahydrofuran (THF, 10 mL) was added to a reaction flask containing magnesium powder (24.3 g, 97.2 mmol) and a small amount of iodine crystals and stirred at room temperature for 1 minutes. Subsequently, a THF solution (40.0 mL) of 2-(4-bromophenoxy)tetrahydro-2H-pyran (25.0 g, 97.2 mmol) was slowly added and stirred for 5 min at room temperature under nitrogen protection, then refluxed for 2 hours. After the reaction was completed, it was cooled to room temperature to obtain the Grignard reagent solution. In another four-necked flask, triethyl borate (31.3 g, 292 mmol) and THF (600 mL) were added and cooled to -15 °C after nitrogen displacement. The Grignard reagent solution was cooled to 0 °C and slowly added dropwise to the THF solution of triethyl borate through a cannula over 30 min. After the dropwise addition was completed, the reaction was continued at 0 °C for 1 h. Gray solid precipitation was observed. 10% aqueous ammonium chloride solution (150 mL) was added to the reaction mixture and stirred at room temperature for 16 hours. The organic layer was extracted by adding ethyl acetate (200 mL), washed sequentially with water and saturated brine, and dried over anhydrous magnesium sulfate. After filtration to remove the desiccant, the solvent was removed by distillation under reduced pressure to give a pink solid. Recrystallization with a solvent mixture of ethyl acetate and hexane (1:10, v/v) afforded 4-(tetrahydro-2H-pyran-2-yloxy)phenylboronic acid (18.3 g, 83% yield) as a white solid.

[References]

[1] Patent: JP5761428, 2015, B2. Location in patent: Paragraph 0110-0112
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-Tetrahydropyranyloxy)phenylboronic acid(182281-01-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Hydroxyphenylboronic acid THP ether, 97%(182281-01-2)
[Alfa Aesar]

4-(Tetrahydro-2H-pyran-2-yloxy)benzeneboronic acid(182281-01-2)
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