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CS-W001157 4
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4,5-Dimethyl-1H-imidazole hydrochloride

  • CAS No. 53316-51-1

  • Cat. No. CS-0153598
  • Purity≥95%
  • MDL No.MFCD09743540

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

4,5-Dimethyl-1H-imidazole hydrochloride|CS-0153598

Structure of 53316-51-1

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General Information

  • CAS No. 53316-51-1
  • Cat. No. CS-0153598
  • Purity ≥95%
  • MDL No. MFCD09743540
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉ClN₂
  • Molecular Weight 132.59
  • Synonym(s) 4,5-Dimethylimidazole hydrochloride
  • SMILES CC1=C(C)N=CN1.Cl

Description

4,5-Dimethyl-1H-imidazole hydrochloride is a bench-stable, moisture-tolerant heterocyclic salt featuring two methyl groups at the 4 and 5 positions of the imidazole ring. This substitution pattern enhances electron density at the nitrogen atoms, promoting strong coordination in metal-ligand systems. The hydrochloride counterion improves solubility in polar solvents, facilitating use in catalytic reactions, synthetic intermediates, and ligand design.

Application

4,5-Dimethyl-1H-imidazole hydrochloride serves as a robust building block for imidazole-based scaffolds in medicinal chemistry and catalysis. Its stable, crystalline form facilitates handling and purification, while the protonated nitrogen enhances solubility in polar solvents. The methyl groups provide steric protection and tune electronic properties, enabling reliable coupling reactions and serving as a platform for further functionalization in drug discovery and ligand design workflows.

Synthesis

  • Route1
    • N,N'-Methylenediformamide|CS-0197372
      6921-98-8
    • null|null
      431-03-8
    • ~82%
    • In-stock
      4,5-Dimethyl-1H-imidazole hydrochloride|CS-0153598
      53316-51-1

    References

    • Eastman Kodak Company Patent: US4409389 A1, 1983 ;
  • Route2
    • null|null
      51605-33-5
    • ~%
    • In-stock
      4,5-Dimethyl-1H-imidazole hydrochloride|CS-0153598
      53316-51-1

    References

    • Journal of Heterocyclic Chemistry, , vol. 28, # 7 p. 1819 - 1820

Safety Information

Download SDS
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.44834
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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