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1238702-58-3

1238702-58-3 Structure

1238702-58-3 Structure
IdentificationBack Directory
[Name]

1-Phenyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
[CAS]

1238702-58-3
[Synonyms]

1-Phenyl-1H-pyrazole-5-boronic Acid Pinacol Ester
(1-PHENYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1-Phenyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Pyrazole, 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C15H19BN2O2
[MDL Number]

MFCD23135814
[MOL File]

1238702-58-3.mol
[Molecular Weight]

270.13
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
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-Phenyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1238702-58-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Pinacol

76-09-5

(1-phenyl-1H-pyrazol-5-yl)boronic acid

1238702-56-1

1-Phenyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1238702-58-3

The general procedure for the synthesis of 1-phenyl-pyrazole-5-boronic acid pinacol ester from pinacol and the compound (CAS: 1238702-56-1) is as follows: with reference to Example 132, a mixture of 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole and 1-phenyl-1H-pyrazole-5-boronic acid was room temperature was dissolved in toluene (86 mL). Subsequently, pinacol (5.39 g, 45.6 mmol) and boric acid (8.57 g, 45.6 mmol) were added. The reaction mixture was heated to 40 °C and the reaction was stirred at this temperature for 2 days. After completion of the reaction, the mixture was concentrated under reduced pressure and the residue was ground with hexane to afford pinacol ester of 1-phenyl-pyrazole-5-boronic acid (7.93 g, 64% yield) as a light yellow solid. The product was characterized by 1H NMR (DMSO-d6, 300 MHz): δ 1.23 (12H, s), 6.84 (1H, s), 7.34-7.59 (5H, m), 7.75 (1H, d, J = 1.9 Hz).

[References]

[1] Patent: US2010/197651, 2010, A1. Location in patent: Page/Page column 73-74
[2] Patent: US2013/150344, 2013, A1. Location in patent: Paragraph 0586; 0587
[3] Patent: US2013/137700, 2013, A1. Location in patent: Paragraph 0449; 0450
[4] Patent: US2013/137675, 2013, A1. Location in patent: Paragraph 0673; 0674
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