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CS-W001157 4
Total: USD 88.00

4-Methyl-1h-imidazole-5-carbonitrile

  • CAS No. 108257-41-6

  • Cat. No. CS-0279419
  • Molecule weight107.11
  • Purity≥97%
  • MDL No.None

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

4-Methyl-1h-imidazole-5-carbonitrile|CS-0279419

Structure of 108257-41-6

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General Information

  • CAS No. 108257-41-6
  • Cat. No. CS-0279419
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 5-Methyl-1H-imidazole-4-carbonitrile
  • SMILES CC1=C(C#N)NC=N1

Description

4-Methyl-1H-imidazole-5-carbonitrile features a sterically accessible imidazole core bearing a methyl group at the 4-position and a nitrile functionality at the 5-position. This electron-deficient heterocycle integrates readily into synthetic scaffolds requiring polar, conjugated systems with enhanced solubility under standard conditions.

Application

4-Methyl-1H-imidazole-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of imidazole-based scaffolds through standard coupling and functionalization reactions. Its stability, ease of purification, and compatibility with diverse reaction conditions make it ideal for constructing bioactive heterocycles in drug discovery workflows.

Synthesis

  • Route1
    • null|null
      1379401-56-5
    • ~99%
    • In-stock
      4-Methyl-1h-imidazole-5-carbonitrile|CS-0279419
      108257-41-6

    References

    • Illig, Carl R.; Ballentine, Shelley K.; Chen, Jinsheng; DesJarlais, Renee Louise; Meegalla, Sanath K.; Wall, Mark; Wilson, Kenneth Patent: US2007/249649 A1, 2007 ; Location in patent: Page/Page column 60 ; US 20070249649 A1
  • Route2
    • null|null
      77421-51-3
    • ~92%
    • In-stock
      4-Methyl-1h-imidazole-5-carbonitrile|CS-0279419
      108257-41-6

    References

    • Andres; Garcia-Lopez Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 3 p. 679 - 683

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   52.47
  • LogP   0.5898
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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