tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- Product Name
- tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- CAS No.
- 1006875-83-7
- Chemical Name
- tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- Synonyms
- 2-methylthiazole-11-carboxylic acid;Oxirane, 2-[9-(phenylMethoxy)ethyl]-;1-[2-(tert-Butoxy)-2-oxoethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester;tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate;tert-butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate;tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate;tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate - [T15958];1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
- CBNumber
- CB73066862
- Molecular Formula
- C15H25BN2O4
- Formula Weight
- 308.18
- MOL File
- 1006875-83-7.mol
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate Property
- Boiling point:
- 407.4±25.0 °C(Predicted)
- Density
- 1.08±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.45±0.10(Predicted)
- Appearance
- White to off-white Solid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- T15958
- Product name
- tert-butyl2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate
- Purity
- 97.0%
- Packaging
- 100mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- CS-0037664
- Product name
- tert-Butyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- Packaging
- 100mg
- Price
- $115
- Updated
- 2021/12/16
- Product number
- CS-0037664
- Product name
- tert-Butyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- Packaging
- 250mg
- Price
- $191
- Updated
- 2021/12/16
- Product number
- CS-0037664
- Product name
- tert-Butyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
- Packaging
- 1g
- Price
- $381
- Updated
- 2021/12/16
- Product number
- 2400AQ
- Product name
- TERT-BUTYL2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)ACETATE
- Packaging
- 1g
- Price
- $525.2
- Updated
- 2021/12/16
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate Chemical Properties,Usage,Production
Uses
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate is used as a reactant in the preparation of imidazotriazines and imidazopyrimidines as kinase inhibitors.
Synthesis
269410-08-4
5292-43-3
1006875-83-7
Using 4-pyrazoleboronic acid pinacol ester (2.0 g, 10.31 mmol) and tert-butyl bromoacetate (2.212 g, 11.34 mmol) as the raw material, the mixture was reacted with potassium carbonate (1.709 g, 12.37 mmol) in acetone (20 mL) for 13 h at 65 °C with stirring under nitrogen protection. Upon completion of the reaction, the reaction mixture was poured into ice water (20 mL) and extracted with ethyl acetate (50 mL × 2). The organic phases were combined, washed with saturated brine, dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: petroleum ether/ethyl acetate = 5/1) to afford the target compound tert-butyl 2-(4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate (3 g, 8.76 mmol, 85% yield) as an oil. lC-MS (Method C): m/z 309.2 ([M+H]+), retention time: 1.946 min; 1H NMR (400 MHz, CDCl3) δ 7.82 (s, 1H), 7.75 (s, 1H), 4.82 (s, 2H), 1.47 (s, 9H), 1.28 (s, 12H).
References
[1] Patent: WO2016/123796, 2016, A1. Location in patent: Page/Page column 49; 50
[2] Patent: US2008/39457, 2008, A1. Location in patent: Page/Page column 36
[3] Patent: US2013/59835, 2013, A1. Location in patent: Paragraph 1146
[4] Patent: US2014/249132, 2014, A1. Location in patent: Paragraph 0424
[5] Patent: US2010/240634, 2010, A1. Location in patent: Page/Page column 57-58
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate Preparation Products And Raw materials
Raw materials
Preparation Products
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