4-Pyrazoleboronic acid pinacol ester , 98% , 269410-08-4

Synonym(s):
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-Tetramethyl-2-(1H-pyrazol-2-yl)-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(1H-pyrazol-4-yl)-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(pyrazol-4-yl)-1,3,2-dioxaborolane;Pyrazol-4-ylboronic acid pinacol ester

CAS NO.：269410-08-4

Empirical Formula: C9H15BN2O2

Molecular Weight: 194.04

MDL number: MFCD03453063

EINECS: 629-131-7

PRODUCT Properties

• Melting point: 142-146 °C (lit.)
• Boiling point: 335.4±15.0 °C(Predicted)
• Density: 1.09±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: DMSO, Ethyl Acetate, Methanol
• form: Powder
• pka: 13.36±0.50(Predicted)
• color: Off-white to tan
• Water Solubility: insoluble
• InChI: InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
• InChIKey: TVOJIBGZFYMWDT-UHFFFAOYSA-N
• SMILES: N1C=C(B2OC(C)(C)C(C)(C)O2)C=N1
• CAS DataBase Reference: 269410-08-4(CAS DataBase Reference)

Description and Uses

Reagent used for

• Suzuki-Miyaura cross-couplings
• Ruthenium-catalyzed asymmetric hydrogenation

Reagent used in preparation of inhibitors of many highly significant therapeutic enzymes and kinases containing the privileged scaffold pyrazole, including

• VEGF
• Aurora
• Rho (ROCK)
• Janus Kinase 2 (JAK)
• c-MET
• ALK
• S-nitrosoglutathione reductase
• CDC7
• Acetyl-CoA carboxylase
• Prosurvival Bcl-2 protein
• Viral RNA-Dependent RNA polymerase
• Long Chain Fatty Acid Elongase 6
• PI3
• AKT
• Chk1
• Protein Kinase B

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi,F
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazard Note: Irritant/Flammable
• TSCA: No
• HS Code: 29331990