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| IUPAC Name: | 1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
| Description: | 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. |
| Molecular Weight: | 284.16 |
| Molecular Formula: | C16H21N2O2B |
| Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CC=C3 |
| InChI: | 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 |
| InChI Key: | ZVPORPUUZXIPEF-UHFFFAOYSA-N |
| Boiling Point: | 427.9 °C at 760 mmHg |
| Melting Point: | 86-90 °C (lit.) |
| Flash Point: | Not applicable |
| Purity: | 95 % |
| Density: | 1.07 g/cm3 |
| MDL: | MFCD03789252 |
| LogP: | 2.23060 |
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