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CS-W001157 4
Total: USD 88.00

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

  • CAS No. 888721-83-3

  • Cat. No. CS-0044409
  • Purity≥97%
  • MDL No.MFCD11973831

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

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one|CS-0044409

Structure of 888721-83-3

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General Information

  • CAS No. 888721-83-3
  • Cat. No. CS-0044409
  • Purity ≥97%
  • MDL No. MFCD11973831
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrN₃O
  • Molecular Weight 214.02
  • Synonym(s) 6-broMopyrrolo[2,1-f][1,2,4]triazin-4-ol
  • SMILES O=C1N=CNN2C1=CC(Br)=C2

Description

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one is a brominated heterocyclic scaffold featuring a pyrrolo[2,1-f][1,2,4]triazin-4-one core. This electron-deficient triazine system enables direct functionalization at the C6 position via palladium-catalyzed cross-coupling reactions. The bromine moiety serves as a robust handle for further diversification in medicinal chemistry and materials science applications.

Application

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one serves as a versatile building block for the synthesis of nitrogen-rich heterocycles and pharmaceutical intermediates. The bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating C–C and C–heteroatom bond formation under standard conditions. Its stability, compatibility with diverse functional groups, and predictable reactivity make it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

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   50.16
  • LogP   0.7851
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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