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3-Bromo-4,5,6,7-tetrahydro-1H-indazole

  • CAS No. 1246553-15-0

  • Cat. No. CS-0051476
  • Molecule weight201.06
  • Purity≥98%
  • MDL No.None

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

3-Bromo-4,5,6,7-tetrahydro-1H-indazole|CS-0051476

Structure of 1246553-15-0

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General Information

  • CAS No. 1246553-15-0
  • Cat. No. CS-0051476
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉BrN₂
  • Molecular Weight 201.06
  • Synonym(s) 3-broMo-1H-4,5,6,7-tetrahydroindazole
  • SMILES BrC1=NNC2=C1CCCC2

Description

This tetrahydroindazole derivative features a bromine substituent at the 3-position, enabling direct functionalization in cross-coupling reactions. The saturated indazole core provides enhanced metabolic stability and improved solubility compared to aromatic analogs, making it valuable for medicinal chemistry and drug discovery applications.

Application

3-Bromo-4,5,6,7-tetrahydro-1H-indazole serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. The bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and arylalkyl scaffolds. Its saturated indazole core provides enhanced metabolic stability and favorable physicochemical properties, making it well-suited for drug discovery applications. The compound exhibits good bench stability and is readily purified by standard chromatographic methods.

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   28.68
  • LogP   2.051
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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