578401

3-Cyanophenylboronic acid pinacol ester

97%

• Synonym(s): 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• Empirical Formula (Hill Notation): C₁₃H₁₆BNO₂
• CAS Number: 214360-46-0
• Molecular Weight: 229.08
• MDL number: MFCD03789262
• UNSPSC Code: 12352103
• PubChem Substance ID: 24880925
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• mp: 78-82 °C (lit.)
• functional group: 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
• InChI key: FIGQEPXOSAFKTA-UHFFFAOYSA-N

Description

Application

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves