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1029715-63-6

1029715-63-6 Structure

1029715-63-6 Structure
IdentificationBack Directory
[Name]

1-(3-Tetrahydrofuryl)-1H-...
[CAS]

1029715-63-6
[Synonyms]

1-(3-Tetrahydrofuryl)-1H-...
1-(Oxolan-3-yl)-1H-pyrazole-4-boronic acid pinacol ester
1-(3-Tetrahydrofuryl)-1H-pyrazole-4-boronic acid pinacol ester
1-(oxolan-3-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(Oxolan-3-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 95+%
1-Tetrahydrofuran-3-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol
1-Tetrahydrofuran-3-yl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-(tetrahydrofuran-3-yl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Pyrazole, 1-(tetrahydro-3-furanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C13H21BN2O3
[MDL Number]

MFCD18383269
[MOL File]

1029715-63-6.mol
[Molecular Weight]

264.13
Chemical PropertiesBack Directory
[Boiling point ]

399.3±32.0 °C(Predicted)
[density ]

1.18±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

2.63±0.19(Predicted)
[Appearance]

Off-white to pink Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933199090
Spectrum DetailBack Directory
[Spectrum Detail]

1-(3-Tetrahydrofuryl)-1H-...(1029715-63-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-BroMo-1-(tetrahydrofuran-3-yl)-1H-pyrazole

1040377-07-8

Bis(pinacolato)diboron

73183-34-3

1H-Pyrazole, 1-(tetrahydro-3-furanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

1029715-63-6

Potassium acetate (KOAc, 1.07 g, 10.92 mmol) was added to a solution of 4-bromo-1-(tetrahydrofuran-3-yl)-1H-pyrazole (0.79 g, 3.64 mmol) and pinacol ester of bis(boronic acid) (1.11 g, 4.37 mmol) in N,N-dimethylformamide (DMF, 20 mL). The reaction mixture was degassed with nitrogen (N2) and stirred for 10 min, followed by the addition of [1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (Pd(dppf)Cl2, 89 mg, 0.109 mmol). After degassing again with nitrogen, the reaction mixture was stirred at 80 °C overnight. After completion of the reaction, DMF was removed by rotary evaporation and the residue was purified by column chromatography (eluent ratio: ethyl acetate:petroleum ether = 1:10) to afford 1-(tetrahydrofuran-3-yl)-1H-pyrazole-4-boronic acid pinacol ester (0.63 g, 65.6% yield).

[References]

[1] Patent: WO2008/88881, 2008, A1. Location in patent: Page/Page column 46
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