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1H-Imidazolium,4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-,chloride 1:1

  • CAS No. 1118916-80-5

  • Cat. No. CS-0646148
  • Molecule weight368.94
  • Purity≥95%
  • MDL No.None

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

1H-Imidazolium,4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-,chloride 1:1|CS-0646148

Structure of 1118916-80-5

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General Information

  • CAS No. 1118916-80-5
  • Cat. No. CS-0646148
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₉ClN₂
  • Molecular Weight 368.94
  • Synonym(s) None
  • SMILES CC1=CC(C)=CC(C)=C1N2C=[N+](C(C)=C2C)C3=C(C)C=C(C)C=C3C.[Cl-]

Description

This 1H-imidazolium salt features a sterically shielded cation stabilized by bulky 2,4,6-trimethylphenyl groups and a chloride counterion. The dimethyl substitution enhances electronic delocalization within the imidazolium core, promoting thermal stability and facilitating use in catalytic systems requiring robust, moisture-tolerant ionic species.

Application

1H-Imidazolium,4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-,chloride (1:1) serves as a robust, bench-stable N-heterocyclic carbene precursor with enhanced steric protection from the 2,4,6-trimethylphenyl substituents. It facilitates C–C and C–heteroatom bond formations in transition-metal-catalyzed reactions, offering high functional group tolerance and ease of handling. Its chloride counterion supports compatibility with various synthetic workflows, enabling efficient access to complex molecular architectures in medicinal chemistry and materials science applications.

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   8.81
  • LogP   2.22536
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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