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Product Name:1-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS:1003846-21-6
Purity:97%(Min,HPLC) Package:100g;1kg;5kg,10kg,25kg,50kg
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| | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester Basic information |
| Product Name: | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester | | Synonyms: | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-(2-Tetrahydropyranyl)-1...;1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(SALTDATA: FREE);1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-boronic acid, pinacol ester;1-(oxan-2-yl)-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Tetrahydropyran-2-yl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-(tetrahydro-2H-pyran-2-yl)-4-(4 | | CAS: | 1003846-21-6 | | MF: | C14H23BN2O3 | | MW: | 278.15 | | EINECS: | | | Product Categories: | | | Mol File: | 1003846-21-6.mol |  |
| | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester Chemical Properties |
| Melting point | 88-90° | | Boiling point | 413.8±35.0 °C(Predicted) | | density | 1.16±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | pka | 1.95±0.19(Predicted) | | color | White | | InChI | InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3 | | InChIKey | YYSLAWXDXHVRHU-UHFFFAOYSA-N | | SMILES | N1(C2OCCCC2)C=C(B2OC(C)(C)C(C)(C)O2)C=N1 |
| WGK Germany | WGK 3 | | HS Code | 2934100090 | | Storage Class | 11 - Combustible Solids |
| | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester Usage And Synthesis |
| Uses | 1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research chemical for organic synthesis and other chemical processes. | | Synthesis | The general procedure for the synthesis of 1-THP-4-pyrazoleboronic acid pinacol ester from 3,4-dihydro-2H-pyran and 4-pyrazoleboronic acid pinacol ester was as follows: 3,4-dihydro-2H-pyran (5.6 g, 67 mmol) and trifluoroacetic acid (1.17 g, 10.3 mmol) were added to a 4-(4,4,5,5-tetramethyl-1,3,2-dioxoborono pentan-2-yl)-1H-pyrazole (10.0 g, 51.5 mmol) in a solution of toluene (200 mL). The reaction mixture was heated to 90 °C and kept for 2 hours. After completion of the reaction, it was cooled to room temperature and the reaction mixture was partitioned between ethyl acetate (200 mL) and saturated aqueous sodium bicarbonate solution (100 mL). The aqueous layer was further extracted with ethyl acetate (100 mL). The organic layers were combined, washed with saturated aqueous sodium chloride (100 mL), dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo. Purification by silica gel column chromatography (elution gradient: 10% to 50% petroleum ether solution of ethyl acetate) afforded the target product 1-THP-4-pyrazoleboronic acid pinacol ester as a white solid. Yield: 13.4 g, 48.2 mmol, 94% yield.1H NMR (400 MHz, CDCl3) δ 7.94 (s, 1H), 7.83 (s, 1H), 5.41 (dd, J = 9.5, 2.5 Hz, 1H), 4.01-4.08 (m, 1H), 3.65-3.74 (m, 1H), 1.98- 2.18 (m, 3H), 1.60-1.76 (m, 3H), 1.32 (s, 12H). | | References | [1] Patent: WO2014/1973, 2014, A1. Location in patent: Page/Page column 60; 61; 62
[2] Patent: WO2018/201006, 2018, A1. Location in patent: Paragraph 0125; 0126
[3] Patent: WO2016/210331, 2016, A1. Location in patent: Paragraph 0225; 0226
[4] Patent: WO2016/210330, 2016, A1. Location in patent: Paragraph 0405-0406
[5] Patent: WO2009/71509, 2009, A1. Location in patent: Page/Page column 80-81 |
| | 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester Preparation Products And Raw materials |
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