| Identification | Back Directory | [Name]
1-(2-MORPHOLINOETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER | [CAS]
864754-18-7 | [Synonyms]
inoethyL
1-(2-MorphoL
1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid
1-(2-Morpholinoethyl)pyrazole-4-boronic Acid Pinacol Ester
1-(2-MORPHOLINOETHYL)-1H-PYRAZOL-4-BORONIC ACID PINACOL ESTER
1-(2-MORPHOLINOETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyr...
1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol ester 97%
1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol ester
1-[2-(Morpholin-4-yl)ethyl]-1H-pyrazole-4-boronic acid, pinacol ester
1-[2-(Morpholin-4-yl)ethyl]-1H-pyrazole-4-boronic acid, pinacol ester 98%
4-{2-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}Morpholine
4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRAZOL-1-YL]-ETHYL)-MORPHOLINE
4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethyl)morpholine
Morpholine, 4-[2-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl]- | [Molecular Formula]
C15H26BN3O3 | [MDL Number]
MFCD08062342 | [MOL File]
864754-18-7.mol | [Molecular Weight]
307.2 |
| Chemical Properties | Back Directory | [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 Information | Back Directory | [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 |
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