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N-Benzyl-N,N-diethylethanaminium iodide

  • CAS No. 5400-94-2

  • Cat. No. CS-W013947
  • Purity≥98%
  • MDL No.MFCD00043178

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

N-Benzyl-N,N-diethylethanaminium iodide|CS-W013947

Structure of 5400-94-2

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General Information

  • CAS No. 5400-94-2
  • Cat. No. CS-W013947
  • Purity ≥98%
  • MDL No. MFCD00043178
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₂IN
  • Molecular Weight 319.23
  • Synonym(s) Benzyltriethylammonium iodide
  • SMILES CC[N+](CC)(CC1=CC=CC=C1)CC.[I-]

Description

N-Benzyl-N,N-diethylethanaminium iodide is a quaternary ammonium salt featuring a benzylated tertiary amine core paired with an iodide counterion. This compound serves as a stable, moisture-tolerant reagent in phase-transfer catalysis and organic synthesis, facilitating efficient ion exchange and reaction acceleration under mild conditions.

Application

N-Benzyl-N,N-diethylethanaminium iodide serves as a versatile quaternary ammonium salt that facilitates phase-transfer catalysis in biphasic systems. Its stable, crystalline form enables straightforward handling and purification, while the benzyl group enhances solubility in organic phases. It functions effectively in nucleophilic substitutions and alkylations, offering reliable reactivity under mild conditions with broad functional group tolerance.

Synthesis

  • Route1

    References

    • Kukhar', V. P.; Pasternak, V. I.; Shevchenko, I. V.; Shevchenko, M. V.; Marchenko, A. P.; Makovetskii, Yu. P. Journal of Organic Chemistry USSR (English Translation), 1981 , p. 161 - 166 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 1 p. 180 - 186
  • Route2
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      121-44-8
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      620-05-3
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    • In-stock
      N-Benzyl-N,N-diethylethanaminium iodide|CS-W013947
      5400-94-2

    References

    • Journal of Molecular Structure, , vol. 562, # 1-3 p. 63 - 78
  • Route3
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      75-03-6
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      109-89-7
    • ~%
    • In-stock
      N-Benzyl-N,N-diethylethanaminium iodide|CS-W013947
      5400-94-2

    References

    • Chemische Berichte, , vol. 10, p. 310 Chemische Berichte, , vol. 10, p. 46

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   0.0671
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   5

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