| Identification | Back Directory | [Name]
1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester | [CAS]
1046832-21-6 | [Synonyms]
3-Dimethyl-4-(4
1,3-DiMethylpyrazole-4-boronic acid pinacol ester
1,3-DiMethyl-1H-pyrazole-4-boronic acid,pinacol este
1,3-Dimethylpyrazole-4-boronic acid pinacol ester 97%
1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester
1,3-DiMethyl-1H-pyrazol-4-ylboronic acid,pinacol ester
1,3-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-(1,3-Dimethyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1H-Pyrazole, 1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 2-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | [Molecular Formula]
C11H19BN2O2 | [MDL Number]
MFCD09864190 | [MOL File]
1046832-21-6.mol | [Molecular Weight]
222.09 |
| Chemical Properties | Back Directory | [Melting point ]
73.0 to 77.0 °C | [Boiling point ]
322.3±30.0 °C(Predicted) | [density ]
1.04±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
powder to crystal | [pka]
2.56±0.10(Predicted) | [color ]
White to Orange to Green | [InChIKey]
FBNAMBTYMSWTIB-UHFFFAOYSA-N | [CAS DataBase Reference]
1046832-21-6 |
| Hazard Information | Back Directory | [Uses]
1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester | [Synthesis]
4-Bromo-1,3-dimethyl-1H-pyrazole (5.00 g, 28.60 mmol) and pinacol ester of bisboronic acid (8.71 g, 34.32 mmol) were reacted in anhydrous 1,4-dioxane (100.0 mL). Potassium acetate (5.63 g, 57.41 mmol) and Pd(dppf)Cl2-CH2Cl2 (2.38 g, 2.86 mmol) were added to the reaction system. The reaction mixture was displaced three times with nitrogen to remove air, followed by warming to 100 °C and stirring the reaction overnight. After completion of the reaction, the reaction mixture was concentrated under reduced pressure. The concentrated residue was diluted with water (30 mL) and extracted with ethyl acetate (50 mL x 3). The organic layers were combined and dried over anhydrous sodium sulfate. The obtained residue was purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether) to afford the target product 1,3-dimethylpyrazole-4-boronic acid pinacol ester as a brown viscous liquid (3.80 g, 60% yield). | [References]
[1] Patent: WO2015/89327, 2015, A1. Location in patent: Paragraph 0297
[2] Patent: CN108570048, 2018, A. Location in patent: Paragraph 0590; 0592-0593
[3] Patent: WO2018/169700, 2018, A1. Location in patent: Page/Page column 00343
[4] Patent: US2013/123281, 2013, A1. Location in patent: Paragraph 0127; 0128 |
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