1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
Synonym(s):1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Benzyl-4-pyrazole boronic acid pinacol ester
- CAS NO.：761446-45-1
- Empirical Formula: C16H21BN2O2
- Molecular Weight: 284.16
- MDL number: MFCD03789252
- EINECS: 671-685-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-24 16:40:18
What is 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester?
Chemical properties
off-white to light yellow crystals or
The Uses of 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
1-Benzylpyrazole-4-boronic acid pinacol ester can be used:
- As a model compound in the study of the stability of boronate esters in different alcohols using the LCMS technique.
- As a substrate in the study of palladium-catalyzed methylation of heteroaryl boronate esters using iodomethane.
- As a substrate in the preparation of bromodifluoromethylthiolated arenes, applicable in the radiosynthesis of [18F]ArylSCF3 compounds.
Properties of 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
| Melting point: | 86-90 °C(lit.) |
| Boiling point: | 427.9±28.0 °C(Predicted) |
| Density | 1.07±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | solid |
| pka | 1.85±0.10(Predicted) |
| color | white to yellow |
| Water Solubility | Insoluble |
| CAS DataBase Reference | 761446-45-1(CAS DataBase Reference) |
Safety information for 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
| InChIKey | ZVPORPUUZXIPEF-UHFFFAOYSA-N |
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