636002

1-Benzylpyrazole-4-boronic acid pinacol ester

95%

• Synonyme(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
• Formule empirique (notation de Hill) : C₁₆H₂₁BN₂O₂
• Numéro CAS: 761446-45-1
• Poids moléculaire : 284.16
• Numéro MDL: MFCD03789252
• Code UNSPSC : 12352103
• ID de substance PubChem : 24882750
• Nomenclature NACRES : NA.22

Propriétés

• Essai: 95%
• Forme: solid
• Pf: 86-90 °C (lit.)
• Chaîne SMILES: 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
• Clé InChI: 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.[1]
• As a substrate in the study of palladium-catalyzed methylation of heteroaryl boronate esters using iodomethane.[2]
• As a substrate in the preparation of bromodifluoromethylthiolated arenes, applicable in the radiosynthesis of [¹⁸F]ArylSCF₃ compounds.[3]

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: Eyeshields, Gloves, type N95 (US)