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1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride

  • CAS No. 1157867-61-2

  • Cat. No. CS-0105689
  • Purity≥97%
  • MDL No.None

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

1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride|CS-0105689

Structure of 1157867-61-2

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General Information

  • CAS No. 1157867-61-2
  • Cat. No. CS-0105689
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₅H₅₃ClN₂
  • Molecular Weight 537.26
  • Synonym(s) 1,3-bis[2,6-bis(pentan-3-yl)phenyl]-3H-1lambda5-i midazol-1-ylium chloride
  • SMILES CCC(C1=CC=CC(C(CC)CC)=C1N(C=C2)C=[N+]2C3=C(C(CC)CC)C=CC=C3C(CC)CC)CC.[Cl-]

Application

1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride serves as a sterically encumbered N-heterocyclic carbene precursor with enhanced bench stability due to its bulky aryl substituents. It facilitates palladium-catalyzed cross-coupling reactions and functions as a robust ligand in transition metal catalysis, enabling efficient C–C and C–heteroatom bond formation under mild conditions. Its ortho-substituted diaryl architecture provides excellent functional group tolerance and simplifies purification in complex 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   8.81
  • LogP   7.3724
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   14

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