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1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester

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1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester Basic information

Product Name:
1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester
Synonyms:
  • 1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester
  • 1-Isopropyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-Isopropylpyrazole-5-boronic Acid Pinacol Ester
  • (1-Isopropyl-1H-Pyrazol-5-YL)Boronic Acid Pinacol Ester
  • 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (1-isopropyl-1H-pyrazol-5-yl)boronate
  • 1-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
  • 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • 1-(1-Methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS:
1282518-60-8
MF:
C12H21BN2O2
MW:
236.12
Mol File:
1282518-60-8.mol
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1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester Chemical Properties

Boiling point:
327.3±15.0 °C(Predicted)
Density 
1.03±0.1 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Store in freezer, under -20°C
pka
1.98±0.10(Predicted)
form 
solid
color 
White to off-white
InChI
InChI=1S/C12H21BN2O2/c1-9(2)15-10(7-8-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
InChIKey
ZKZJXVGTTZXHGX-UHFFFAOYSA-N
SMILES
N1(C(C)C)C(B2OC(C)(C)C(C)(C)O2)=CC=N1
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Safety Information

HS Code 
2933199090
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1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester Usage And Synthesis

Synthesis

1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester could be synthesized through the reaction of 1-isopropyl-1H-pyrazole with 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. Tetrahydrofuran could used as an organic solvent. The crude product added n-hexane, heated to 40°C to dissolve the system, cooled to -20°C, stirred and crystallized, and filtered. Vacuum drying to obtain the target compound 1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester, with a yield of 77% and a purity of 99.3%.

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