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CS-W001157 4
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1-Fluoro-4-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate

  • CAS No. 159269-48-4

  • Cat. No. CS-W019534
  • Purity≥97%
  • MDL No.MFCD14156145

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

1-Fluoro-4-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate|CS-W019534

Structure of 159269-48-4

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General Information

  • CAS No. 159269-48-4
  • Cat. No. CS-W019534
  • Purity ≥97%
  • MDL No. MFCD14156145
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₅B₂F₉N₂
  • Molecular Weight 319.82
  • Synonym(s) Selectfluor(R) II reagent
  • SMILES C[N+]12CC[N+](CC2)(F)CC1.F[B-](F)(F)F.F[B-](F)(F)F

Description

1-Fluoro-4-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate delivers a rigid, electron-deficient scaffold ideal for stabilizing reactive intermediates in transition metal catalysis. The fluorinated diazabicyclooctanium core combines enhanced electrophilicity with improved solubility in polar solvents, enabling efficient coupling reactions under mild conditions.

Application

1-Fluoro-4-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate serves as a potent, bench-stable electrophilic fluorinating agent enabling selective C–H fluorination and activation of nucleophiles in synthetic workflows. Its rigid bicyclic structure enhances regioselectivity, while the tetrafluoroborate counterion ensures improved solubility and handling. Functions effectively in late-stage functionalization and heterocycle synthesis, offering high chemoselectivity and compatibility with diverse functional groups under mild conditions.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 3088
Class : 4.2
Packing Group : Ⅱ
Hazard Statements : H252-H302-H317-H318-H412
Precautionary Statements : P210-P240-P241-P280-P370+P378

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.7615
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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