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6,7-Dihydro-2-phenyl-5H-Pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate

  • CAS No. 909122-64-1

  • Cat. No. CS-0088751
  • Purity≥97%
  • MDL No.MFCD29059016

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

6,7-Dihydro-2-phenyl-5H-Pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate|CS-0088751

Structure of 909122-64-1

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General Information

  • CAS No. 909122-64-1
  • Cat. No. CS-0088751
  • Purity ≥97%
  • MDL No. MFCD29059016
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BF₄N₃
  • Molecular Weight 273.04
  • Synonym(s) o[2,1-c][1,2,4]triazoL
  • SMILES FB(F)F.N1(CCC2)C2=N[N+](C3=CC=CC=C3)=C1.[F-]

Description

6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate is a bench-stable, moisture-tolerant heterocyclic salt featuring a phenyl-substituted triazolium core. This cationic species integrates readily into catalytic systems and stabilizes reactive intermediates in transition-metal-free transformations. Its electron-deficient nature enhances electrophilic reactivity while maintaining handling ease under standard conditions.

Application

6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c][1,2,4]triazolium tetrafluoroborate serves as a stable, bench-ready building block for synthesizing bioactive heterocycles. Its functionalized triazolium core enables efficient C–H activation and palladium-catalyzed coupling reactions, facilitating the construction of complex scaffolds in medicinal chemistry. The tetrafluoroborate counterion enhances solubility and stability, simplifying purification and handling in standard synthetic 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   21.7
  • LogP   -1.0102
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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