| Identification | Back Directory | [Name]
1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | [CAS]
1000801-75-1 | [Synonyms]
1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid picol ester 1-(Cyclopropylmethyl)pyrazole-4-boronic Acid Pinacol Ester 1-CyclopropylMethyl-1H-pyrazole-4-boronic acid, pinacol ester 1-Cyclopropylmethyl-1H-pyrazole-4-boronic acid, pinacol ester 97% 1-(cyclopropylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1H-Pyrazole, 1-(cyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- | [Molecular Formula]
C13H21BN2O2 | [MDL Number]
MFCD15474887 | [MOL File]
1000801-75-1.mol | [Molecular Weight]
248.13 |
| Chemical Properties | Back Directory | [Boiling point ]
362.8±15.0 °C(Predicted) | [density ]
1.14 | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [pka]
2.07±0.10(Predicted) | [Appearance]
White to off-white Solid |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1000801-75-1)1HNMR 1-(CyclopropylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1000801-75-1)1HNMR
|
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole from 4-pyrazolylboronic acid pinacol ester and bromomethylcyclopropane: Bromomethylcyclopropane (0.95 mg, 6.70 mmol, 0.70 mL, 95%) was added to a solution containing 4-(4,4,5, 5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole at 0°C. 5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1.00 g, 5.15 mmol) and cesium carbonate (3.49 mg, 10.72 mmol) in a mixture of anhydrous N,N-dimethylformamide (20 mL). After stirring for 30 min, the ice water bath was removed. The reaction mixture was stirred overnight at room temperature. Subsequently, the reaction mixture was diluted with ethyl acetate (150 mL) and washed with brine (3 x 100 mL). The organic layer was dried with sodium sulfate and concentrated in vacuum to afford 1.30 g (4.38 mmol, 85% yield) of the target compound 1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.GC-MS (Method L9): rt = 4.35 min; m/z = 247. 1H NMR (300 MHz, CDCl3, Method M2) δ 7.81 (s, 1H), 7.79 (s, 1H), 3.99 (d, J = 7.1 Hz, 2H), 1.32 (s, 12H), 1.27 (m, 1H), 0.71-0.58 (m, 2H), 0.41-0.33 (m, 2H). | [References]
[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 10, p. 4196 - 4212 [2] Patent: WO2017/178416, 2017, A1. Location in patent: Page/Page column 114; 115 [3] Patent: WO2014/210354, 2014, A1. Location in patent: Page/Page column 47; 48 [4] Patent: WO2017/102091, 2017, A1. Location in patent: Page/Page column 435 [5] Patent: WO2017/207534, 2017, A1. Location in patent: Page/Page column 180 |
|
| Company Name: |
T&W GROUP
|
| Tel: |
021-61551611 13296011611 |
| Website: |
www.trustwe.com/ |
| Company Name: |
NovoChemy Ltd.
|
| Tel: |
021-31261262/ 49 (0)17662837245 |
| Website: |
www.novochemy.com |
|