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(R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate

  • CAS No. 1175052-07-9

  • Cat. No. CS-0092912
  • Purity≥97%
  • MDL No.None

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

(R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate|CS-0092912

Structure of 1175052-07-9

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General Information

  • CAS No. 1175052-07-9
  • Cat. No. CS-0092912
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃BF₉N₃
  • Molecular Weight 405.07
  • Synonym(s) None
  • SMILES FC1=C(C(F)=C(C(F)=C1F)F)[N+]2=CN3C(CC[C@@H]3C(C)C)=N2.FB(F)F.[F-]

Description

(R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate features a chiral triazolium core with a perfluorophenyl group enhancing electron deficiency and solubility in organic media. This bench-stable cationic species enables efficient coupling reactions under mild conditions, serving as a robust catalyst scaffold in transition-metal-free transformations.

Application

(R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate serves as a stable, bench-ready electrophilic building block for the synthesis of functionalized triazolium salts. Its perfluorophenyl group enhances reactivity in palladium-catalyzed cross-coupling processes, while the chiral pyrrolotriazole core enables stereoselective transformations. The tetrafluoroborate counterion ensures good solubility and ease of purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and catalytic system development.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   21.7
  • LogP   0.8824
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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