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tert-Butyl 3-bromo-1H-pyrazole-1-carboxylate

  • CAS No. 1448855-35-3

  • Cat. No. CS-0101939
  • Purity≥95%
  • MDL No.None

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

tert-Butyl 3-bromo-1H-pyrazole-1-carboxylate|CS-0101939

Structure of 1448855-35-3

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General Information

  • CAS No. 1448855-35-3
  • Cat. No. CS-0101939
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrN₂O₂
  • Molecular Weight 247.09
  • Synonym(s) TERT-BUTYL 3-BROMO-1H-PYRAZOLO(3,4-D)PYRIMIDINE-1-CARBOXYLATE
  • SMILES O=C(N1N=C(Br)C=C1)OC(C)(C)C

Description

tert-Butyl 3-bromo-1H-pyrazole-1-carboxylate is a bench-stable, moisture-tolerant building block featuring a brominated pyrazole core. This compound integrates readily into cross-coupling reactions, enabling efficient access to functionalized heterocycles. The tert-butyl ester group facilitates purification and subsequent deprotection under mild acidic conditions.

Application

tert-Butyl 3-bromo-1H-pyrazole-1-carboxylate serves as a versatile building block for the synthesis of brominated pyrazole derivatives, enabling efficient late-stage functionalization in medicinal chemistry. Its stability under standard reaction conditions and compatibility with palladium-catalyzed cross-coupling reactions facilitate the construction of biologically relevant heterocyclic scaffolds. The tert-butyl carbamate group provides excellent solubility and ease of purification, while the bromine substituent offers a reliable handle for further diversification via Suzuki, Stille, or Negishi couplings.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   2.4288
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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