636002

1-Benzylpyrazole-4-boronic acid pinacol ester

95%

• Synonym(s): 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Benzyl-4-pyrazole boronic acid pinacol ester
• Empirical Formula (Hill Notation): C₁₆H₂₁BN₂O₂
• CAS Number: 761446-45-1
• Molecular Weight: 284.16
• MDL number: MFCD03789252
• UNSPSC Code: 12352103
• PubChem Substance ID: 24882750
• NACRES: NA.22

Properties

• assay: 95%
• form: solid
• mp: 86-90 °C (lit.)
• SMILES string: CC1(C)OB(OC1(C)C)c2cnn(Cc3ccccc3)c2
• InChI: 1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
• InChI key: ZVPORPUUZXIPEF-UHFFFAOYSA-N

Description

Application

1-Benzylpyrazole-4-boronic acid pinacol ester can be used:

• As a model compound in the study of the stability of boronate esters in different alcohols using the LCMS technique.
• As a substrate in the study of palladium-catalyzed methylation of heteroaryl boronate esters using iodomethane.
• As a substrate in the preparation of bromodifluoromethylthiolated arenes, applicable in the radiosynthesis of [¹⁸F]ArylSCF₃ compounds.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)