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N-Benzyl-N,N-dimethylbenzenaminium chloride

  • CAS No. 3204-68-0

  • Cat. No. CS-0158158
  • Purity≥97%
  • MDL No.MFCD00031566

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

N-Benzyl-N,N-dimethylbenzenaminium chloride|CS-0158158

Structure of 3204-68-0

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General Information

  • CAS No. 3204-68-0
  • Cat. No. CS-0158158
  • Purity ≥97%
  • MDL No. MFCD00031566
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₈ClN
  • Molecular Weight 247.76
  • Synonym(s) Phenylbenzyldimethylammonium (chloride)
  • SMILES C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Description

N-Benzyl-N,N-dimethylbenzenaminium chloride features a stable, electron-deficient aryl ammonium core paired with a benzylic linker, enabling efficient electrophilic reactivity in cross-coupling and C–H functionalization. This bench-stable salt delivers high solubility in polar aprotic solvents and functions as a traceless activating group in synthetic transformations.

Application

N-Benzyl-N,N-dimethylbenzenaminium chloride serves as a stable, bench-ready aryl ammonium salt that facilitates electrophilic aromatic substitution and C–H functionalization reactions. Its well-defined reactivity enables efficient construction of biaryl scaffolds and heterocyclic systems under mild conditions. The compound exhibits excellent functional group tolerance and simplifies purification due to its crystalline solid form and ionic nature, making it a practical choice for synthetic workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H314-H317-H400
Precautionary Statements : P260-P261-P264-P270-P272-P273-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P391-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   0.4577
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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