A8415012
1-Benzylpyrazole-4-boronic acid pinacol ester , 95% , 761446-45-1
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
| Pack Size | Price | Stock | Quantity |
| 1G | RMB126.40 | In Stock |
|
| 5G | RMB390.40 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| InChI | 1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3 |
| InChIKey | ZVPORPUUZXIPEF-UHFFFAOYSA-N |
| SMILES | CC1(C)OB(OC1(C)C)c2cnn(Cc3ccccc3)c2 |
| CAS DataBase Reference | 761446-45-1(CAS DataBase Reference) |
Description and Uses
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.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P280-P305+P351+P338-P304+P340-P405-P501A |
| PPE | Eyeshields, Gloves, type N95 (US) |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-23-22 |
| Safety Statements | 22-24/25-37/39-26-36/37/38 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | No |
| HS Code | 29331990 |
| Storage Class | 11 - Combustible Solids |
