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CS-W001157 4
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1-Benzyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate

  • CAS No. 500996-04-3

  • Cat. No. CS-0197249
  • Molecule weight262.05
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate|CS-0197249

Structure of 500996-04-3

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General Information

  • CAS No. 500996-04-3
  • Cat. No. CS-0197249
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅BF₄N₂
  • Molecular Weight 262.05
  • Synonym(s) 1-Benzyl-3-methylimidazolium tetrafluoroborate
  • SMILES C[NH+]1C=CN(CC2=CC=CC=C2)C1.[B-](F)(F)(F)F

Description

This imidazolium salt features a benzyl group at the 3-position and a methyl substituent at nitrogen, delivering enhanced solubility and stability in polar solvents. The tetrafluoroborate counterion ensures good ionic conductivity and compatibility with catalytic systems. Designed for use in organocatalysis and as a precursor in ionic liquid synthesis, it enables efficient reaction setups under standard conditions.

Application

3-Benzyl-1-methyl-1H-imidazolium tetrafluoroborate serves as a stable, bench-friendly imidazolium salt that facilitates C–C and C–heteroatom bond formation in transition-metal-catalyzed reactions. Its functional group tolerance and ease of handling make it a practical reagent for constructing biologically relevant heterocyclic scaffolds and enabling iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 49, # 22 p. 3663 - 3665
  • Route2

    References

    • Journal of Materials Chemistry, , vol. 18, # 43 p. 5267 - 5273
  • Route3
    • In-stock
      1-Methylimidazole|CS-W008580
      616-47-7
    • null|null
      100-39-0
    • ~%
    • In-stock
      1-Benzyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate|CS-0197249
      500996-04-3

    References

    • Journal of Molecular Liquids, , vol. 157, # 1 p. 83 - 87

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   7.68
  • LogP   1.7456
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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