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1-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol

  • CAS No. 1008510-87-9

  • Cat. No. CS-0131438
  • Molecule weight219.08
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol|CS-0131438

Structure of 1008510-87-9

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General Information

  • CAS No. 1008510-87-9
  • Cat. No. CS-0131438
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁BrN₂O
  • Molecular Weight 219.08
  • Synonym(s) None
  • SMILES BrC1=CN(CC(C)(O)C)N=C1

Description

This boronate ester features a sterically hindered tert-butyl group flanked by a brominated pyrazole ring, delivering enhanced stability and facilitating efficient coupling in palladium-catalyzed transformations. The electron-deficient pyrazole moiety enables selective functionalization under standard conditions.

Application

1-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol serves as a versatile building block for the synthesis of pyrazole-based heterocycles and bioactive molecules. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the tertiary alcohol functionality offers stability and ease of purification. Its steric shielding enhances bench handling and functional group tolerance in complex molecule assembly.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   1.4165
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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