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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-PYRIDINEBORONIC ACID PINACOL ESTER · 3-PYRIDYLBORONIC ACID PINACOL ESTER · 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin · AKOS BRN-1142 · 3-Pyridineboronic · Pyridine-3-boronic acid p... · 3-Pyridineboronic Acid PinacoL · 3-Pyridine borate pinacol ester,
Identifikatoren & physikalische Daten
| CAS No. | 329214-79-1 |
|---|---|
| Summenformel | C11H16BNO2 |
| Durchschnittliche Molmasse | 205,06 g/mol |
| Monoisotopische Masse | 205,12740915 g/mol |
| SMILES | CC1(C)OB(c2cccnc2)OC1(C)C |
| InChIKey | XEMDFESAXKSEGI-UHFFFAOYSA-N |
| PubChem CID | 2734656 |
| EC No. | 627-672-3 |
| DTXSID | DTXSID90370426 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 31,4 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 227 |
| Schmelzpunkt | 102-104.4 °C(lit.) |
| Siedepunkt | 300.9±15.0 °C(Predicted) |
| Dichte | 1.03±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in AcetoneInsoluble |
| pKa (Säurekonstante) | 5.22±0.12(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| InChI | InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3 |
| InChIKey | XEMDFESAXKSEGI-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1B1OC(C)(C)C(C)(C)O1 |
| CAS Datenbank | 329214-79-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is an organoborane compound used in the preparation of of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol E ster is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators.