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CS-W001157 4
Total: USD 88.00

1,3-Di-t-butylimidazolium chloride

  • CAS No. 157197-54-1

  • Cat. No. CS-0086713
  • Purity≥97%
  • MDL No.None

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

1,3-Di-t-butylimidazolium chloride|CS-0086713

Structure of 157197-54-1

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General Information

  • CAS No. 157197-54-1
  • Cat. No. CS-0086713
  • 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 C₁₁H₂₁ClN₂
  • Molecular Weight 216.75
  • Synonym(s) 1,3-di-tert-Butyl-1H-imidazol-3-ium chloride
  • SMILES CC(C)(C)N1C=C[N+](C(C)(C)C)=C1.[Cl-]

Description

1,3-Di-t-butylimidazolium chloride is a sterically hindered ionic liquid precursor featuring two bulky tert-butyl groups flanking the imidazolium core. This substitution enhances thermal stability and reduces nucleophilic attack at the C2 position, enabling robust performance in catalytic systems and electrochemical applications under demanding conditions.

Application

1,3-Di-t-butylimidazolium chloride serves as a stable, bench-ready imidazolium salt that functions as a versatile precursor in the synthesis of N-heterocyclic carbenes (NHCs). Its sterically protected structure enhances shelf stability and facilitates clean carbene generation under mild conditions. The chloride counterion enables straightforward ion exchange and supports applications in transition-metal catalysis, organocatalysis, and the construction of functionalized heterocyclic scaffolds with high reproducibility.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   8.81
  • LogP   -0.7104
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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