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Ethyl 6-bromo-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

  • CAS No. 1396779-46-6

  • Cat. No. CS-0637960
  • Molecule weight270.08
  • Purity≥95%
  • MDL No.None

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

Ethyl 6-bromo-1H-pyrazolo[3,4-b]pyridine-4-carboxylate|CS-0637960

Structure of 1396779-46-6

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General Information

  • CAS No. 1396779-46-6
  • Cat. No. CS-0637960
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrN₃O₂
  • Molecular Weight 270.08
  • Synonym(s) None
  • SMILES O=C(C1=C2C(NN=C2)=NC(Br)=C1)OCC

Description

Ethyl 6-bromo-1H-pyrazolo[3,4-b]pyridine-4-carboxylate features a brominated pyrazolopyridine core with a bench-stable ester handle, enabling direct incorporation into cross-coupling reactions. The electron-deficient heterocycle facilitates palladium-catalyzed transformations, while the para-positioned bromide serves as a reactive anchor for further diversification in medicinal chemistry and materials synthesis.

Application

Ethyl 6-bromo-1H-pyrazolo[3,4-b]pyridine-4-carboxylate serves as a versatile building block for constructing pyrazolopyridine-based scaffolds in medicinal chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient access to complex heterocyclic architectures.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   1.8971
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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