578401

3-Cyanophenylborsäurepinacolester

97%

• Synonym(e): 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitril
• Empirische Formel (Hill-System): C₁₃H₁₆BNO₂
• CAS-Nummer: 214360-46-0
• Molekulargewicht: 229.08
• MDL-Nummer: MFCD03789262
• UNSPSC-Code: 12352103
• PubChem Substanz-ID: 24880925
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 97%
• mp (Schmelzpunkt): 78-82 °C (lit.)
• Funktionelle Gruppe: nitrile
• SMILES String: CC1(C)OB(OC1(C)C)c2cccc(c2)C#N
• InChI: 1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
• InChIKey: FIGQEPXOSAFKTA-UHFFFAOYSA-N

Beschreibung

Anwendung

3-Cyanophenylboronic acid pinacol ester can be used as a reactant to synthesize:

• 3-Cyano aryl/ heteroaryl derivatives by forming a C−C bond via palladium-catalyzed Suzuki-Miyaura reaction.
• 3-(Phenylamino)benzonitrile by copper-catalyzed Chan-Evans-Lam amination reaction.
• 3-(Trifluoromethyl)benzonitrile using potassium (trifluoromethyl)trimethoxyborate.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves