| Identification | Back Directory | [Name]
1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | [CAS]
1093307-35-7 | [Synonyms]
(1-(CYANOMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetonitrile 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-acetonitrile 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetonitrile 1H-Pyrazole-1-acetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetonitrile | [Molecular Formula]
C11H16BN3O2 | [MOL File]
1093307-35-7.mol | [Molecular Weight]
233.07 |
| Chemical Properties | Back Directory | [Boiling point ]
380.9±22.0 °C(Predicted) | [density ]
1.10±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
0.95±0.10(Predicted) | [Appearance]
Light brown to brown Solid |
| Hazard Information | Back Directory | [Synthesis]
The reaction was carried out overnight at 70 °C in acetonitrile (10 mL) in the presence of sodium iodide (39 mg, 0.26 mmol) and potassium carbonate (1.0 g, 7.8 mmol) using pinacol ester of 4-pyrazoleboronic acid (0.50 g, 2.58 mmol) and bromoacetonitrile (1.3 g, 10.8 mmol). Upon completion of the reaction, the reaction was quenched by the addition of water and extracted with ethyl acetate (3 x 10 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by silica gel column chromatography (eluent: 10% to 100% ethyl acetate/hexane gradient elution) to afford 2-(4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetonitrile (0.38 g, 63% yield). Mass spectrum (ESI) m/z: 234.1 (M+H+). | [References]
[1] Patent: WO2011/139891, 2011, A1. Location in patent: Page/Page column 61-62 [2] Patent: WO2017/70708, 2017, A1. Location in patent: Paragraph 00405 [3] Patent: WO2015/51241, 2015, A1. Location in patent: Paragraph 00769 |
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| Company Name: |
China Langchem Inc.
|
| Tel: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
| Company Name: |
BePharm Ltd
|
| Tel: |
400-685-9117 |
| Website: |
www.bepharm.com |
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