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CS-W001157 4
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1-Allyl-3-vinyl-1H-imidazol-3-ium bromide

  • CAS No. 1072788-73-8

  • Cat. No. CS-0440391
  • Purity≥98%
  • MDL No.MFCD30722451

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

1-Allyl-3-vinyl-1H-imidazol-3-ium bromide|CS-0440391

Structure of 1072788-73-8

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General Information

  • CAS No. 1072788-73-8
  • Cat. No. CS-0440391
  • Purity ≥98%
  • MDL No. MFCD30722451
  • Storage 4°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrN₂
  • Molecular Weight 215.09
  • Synonym(s) 1-Allyl-3-vinyliMidazoliuM broMide
  • SMILES C=CCN1C=C[N+](C=C)=C1.[Br-]

Description

This imidazolium salt features a conjugated allyl-vinyl diene system flanking the cationic core, enabling efficient coupling in cross-coupling and polymerization reactions. The bromide counterion ensures high reactivity under mild conditions, while the rigid, electron-deficient framework supports stable intermediates in catalytic cycles.

Application

1-Allyl-3-vinyl-1H-imidazol-3-ium bromide serves as a versatile bifunctional building block for the synthesis of functionalized imidazolium salts and nitrogen-containing heterocycles. Its allyl and vinyl groups enable participation in palladium-catalyzed cross-coupling reactions, cycloadditions, and polymerization processes. The cationic imidazolium core offers enhanced stability and solubility in polar solvents, facilitating straightforward purification and integration into iterative synthetic sequences.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   6.48
  • LogP   1.9401
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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