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| | 1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester Basic information |
| Product Name: | 1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester | | Synonyms: | 4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRAZOL-1-YL]-ETHYL)-MORPHOLINE;1-(2-MORPHOLINOETHYL)-1H-PYRAZOL-4-BORONIC ACID PINACOL ESTER;1-[2-(Morpholin-4-yl)ethyl]-1H-pyrazole-4-boronic acid, pinacol ester;Morpholine, 4-[2-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl]-;1-[2-(Morpholin-4-yl)ethyl]-1H-pyrazole-4-boronic acid, pinacol ester 98%;1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid;4-{2-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}Morpholine;1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol ester 97% | | CAS: | 864754-18-7 | | MF: | C15H26BN3O3 | | MW: | 307.2 | | EINECS: | | | Product Categories: | Boronate Esters;Boronic Acids and Derivatives;Chemical Synthesis;Heteroaryl Boronate Esters;Organometallic Reagents | | Mol File: | 864754-18-7.mol |  |
| | 1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester Chemical Properties |
| Melting point | 89-94℃ | | Boiling point | 440.6±35.0 °C(Predicted) | | density | 1.15±0.1 g/cm3 (20 ºC 760 Torr) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder | | pka | 6.71±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | 1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18/h11-12H,5-10H2,1-4H3 | | InChIKey | FBAPTUAEBQMVEY-UHFFFAOYSA-N | | SMILES | CC1(C)OB(OC1(C)C)c2cnn(CCN3CCOCC3)c2 |
| Hazard Codes | Xi | | Risk Statements | 36-38 | | Safety Statements | 26 | | WGK Germany | 2 | | HS Code | 2934999090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2 |
| | 1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester Usage And Synthesis |
| Synthesis | GENERAL STEPS: N-(2-chloroethyl)morpholine hydrochloride (1.25 g, 6.70 mmol) was added to a solution of anhydrous N,N-dimethylformamide (20 mL) containing pinacol ester of 4-pyrazoleboronic acid (1.00 g, 5.15 mmol) and cesium carbonate (5.54 g, 17.01 mmol) at 0 °C. After stirring for 30 min, the ice water bath was removed. The reaction mixture was continued to be stirred at room temperature for 4 days. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (150 mL) and washed with brine (3 x 100 mL). The organic layer was dried with anhydrous sodium sulfate and subsequently concentrated under reduced pressure. The crude product was purified by fast column chromatography (Method L7; 12 g silica gel; eluent: ethyl acetate) to afford 1-(2-morpholinylethyl)-1H-pyrazole-4-boronic acid pinacol ester 0.75 g (2.44 mmol, 47% yield). analysis by GC-MS (Method L9) showed R1 = 5.49 min; (no mass detected).1H NMR ( 300 MHz, chloroform-d, method M2) δ 7.80-7.75 (m, 1H), 7.73 (s, 1H), 4.25 (t, J = 6.8 Hz, 2H), 3.73-3.44 (m, 4H), 2.81 (t, J = 6.8 Hz, 2H), 2.50-2.42 (m, 4H), 1.32 (s, 12H). | | References | [1] Patent: WO2017/178416, 2017, A1. Location in patent: Page/Page column 116
[2] Patent: WO2010/75270, 2010, A1. Location in patent: Page/Page column 160 |
| | 1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester Preparation Products And Raw materials |
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