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China Langchem Inc.
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Product Name:1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS:1093307-35-7
Purity:99% HPLC Package:10g;100G;1KG
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| | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Basic information |
| Product Name: | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | | Synonyms: | 2-(4-(4,4,5,5-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-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetonitrile;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetonitrile;(1-(CYANOMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;1H-Pyrazole-1-acetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;1-(Cyanomethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester;2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetonitrile - [T16528] | | CAS: | 1093307-35-7 | | MF: | C11H16BN3O2 | | MW: | 233.07 | | EINECS: | | | Product Categories: | | | Mol File: | 1093307-35-7.mol |  |
| | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Chemical Properties |
| Boiling point | 380.9±22.0 °C(Predicted) | | density | 1.10±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 0.95±0.10(Predicted) | | Appearance | Light brown to brown Solid |
| | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Usage And Synthesis |
| 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 |
| | 1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Preparation Products And Raw materials |
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