642614

1-Isobutylpyrazole-4-boronic acid pinacol ester

95%

• Synonym(s): 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-Isobutyl-pyrazole-4-boronic acid pinacol ester
• Empirical Formula (Hill Notation): C₁₃H₂₃BN₂O₂
• CAS Number: 827614-66-4
• Molecular Weight: 250.14
• MDL number: MFCD05663857
• UNSPSC Code: 12352103
• PubChem Substance ID: 24883209
• NACRES: NA.22

Properties

• Assay: 95%
• refractive index: n20/D 1.4740 (lit.)
• bp: 248-249 °C (lit.)
• density: 1.003 g/mL at 25 °C (lit.)
• SMILES string: CC(C)Cn1cc(cn1)B2OC(C)(C)C(C)(C)O2
• InChI: 1S/C13H23BN2O2/c1-10(2)8-16-9-11(7-15-16)14-17-12(3,4)13(5,6)18-14/h7,9-10H,8H2,1-6H3
• InChI key: YMEBZRNYQBODKB-UHFFFAOYSA-N

Description

Application

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

• In the synthesis of 7-azaindole derivatives as potent PDK1 inhibitors.[1]
• As a reactant in the synthesis of imidazo[1,2-a]pyrazine derivatives as potent phosphodiesterase 10A inhibitors.[2]
• To prepare 2-substituted-3-aroyl-benzo[b]furan derivatives.[3]

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H319
• Precautionary Statements: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 116.6 °F
• Flash Point(C): 47 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves