HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate
TERT-BUTYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE · tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydro-1H-pyrrole-1-carboxylate · (containing ca. 50% 4,5-dihydro isomer) · 1-Boc-2,5-dihydropyrrole-3-boronic Acid Pinacol Ester · 1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester · tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl · N-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester · (1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL)BORONIC ACID PINACOL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 212127-83-8 |
|---|---|
| Summenformel | C15H26BNO4 |
| Durchschnittliche Molmasse | 295,18 g/mol |
| Monoisotopische Masse | 295,1954885 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C1 |
| InChIKey | OIZXJJIHVIYNKZ-UHFFFAOYSA-N |
| PubChem CID | 15836637 |
| DTXSID | DTXSID90578748 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 48 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 449 |
| Siedepunkt | 330.5±52.0 °C(Predicted) |
| Dichte | 1.06±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | -1.18±0.40(Predicted) |
| Aggregatzustand | solid |
| Farbe | Off-white to light yellow |
| InChI | InChI=1S/C15H26BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h8H,9-10H2,1-7H3 |
| InChIKey | OIZXJJIHVIYNKZ-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1 |
Sicherheit & Vorschriften
| Zollcode | 2933998090 |
|---|
Anwendungen & Verwendung
Verwenden
1-Boc-2,5-Dihydro-1H-pyrrole-3-boronic acid, pinacol ester can be used in the synthesis of series of kinase inhibitors.