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| IUPAC Name: | tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate |
| Description: | 6-(4-Boc-1-piperazinyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 496786-98-2) is used as a reactant in the preparation of fluorogenic probes used to distinguish chemical warfare agents and their mimics. |
| Molecular Weight: | 389.30 |
| Molecular Formula: | C20H32N3O4B |
| Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C |
| InChI: | InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-9-8-15(14-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3 |
| InChI Key: | JWUBVPJWWYYRLJ-UHFFFAOYSA-N |
| Boiling Point: | 515.9 °C at 760 mmHg |
| Melting Point: | 165-169 °C |
| Flash Point: | Not applicable |
| Purity: | 96 % |
| Density: | 1.14 g/cm3 |
| Appearance: | Solid |
| MDL: | MFCD04039875 |
| LogP: | 2.44080 |
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Boronic Acids and Esters
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
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