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CS-W001157 4
Total: USD 88.00

2-Propylimidazole

  • CAS No. 50995-95-4

  • Cat. No. CS-W013667
  • Purity≥98%
  • MDL No.MFCD00059158

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

2-Propylimidazole|CS-W013667

Structure of 50995-95-4

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General Information

  • CAS No. 50995-95-4
  • Cat. No. CS-W013667
  • Purity ≥98%
  • MDL No. MFCD00059158
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀N₂
  • Molecular Weight 110.16
  • Synonym(s) 2-Propyl-1H-imidazole
  • SMILES C1=CN=C(CCC)[NH]1

Description

2-Propylimidazole features a propyl chain at the 2-position of the imidazole ring, enhancing solubility and steric profile compared to unsubstituted imidazole. This substitution improves handling and stability in synthetic workflows while maintaining strong coordination ability. The molecule serves as a tunable ligand in transition metal catalysis and a building block for functionalized heterocycles.

Application

2-Propylimidazole serves as a versatile building block in medicinal chemistry and catalysis, enabling the construction of imidazole-based heterocycles with enhanced lipophilicity and metabolic stability. Its alkylated imidazole core exhibits robust bench stability, tolerates a range of functional groups, and participates reliably in standard coupling reactions, facilitating efficient synthesis of bioactive scaffolds and ligand frameworks in pharmaceutical development.

Synthesis

  • Route1
    • null|null
      131543-46-9
    • null|null
      123-72-8
    • ~65%
    • In-stock
      2-Propylimidazole|CS-W013667
      50995-95-4

    References

    • BRIGHAM YOUNG UNIVERSITY, TRANSFER TECHNOLOGY OFFICE Patent: WO2006/138396 A2, 2006 ; Location in patent: Page/Page column 47-48 ;
  • Route2
    • 2-Propyl-4,5-dihydro-1H-imidazole|CS-0119918
      15450-05-2
    • ~81%
    • In-stock
      2-Propylimidazole|CS-W013667
      50995-95-4

    References

    • Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-Aki; Akine, Shigehisa; Kanbara, Takaki ACS Catalysis, 2013 , vol. 3, # 5 p. 812 - 816
  • Route3
    • null|null
      13171-63-6
    • null|null
      123-72-8
    • ~%
    • In-stock
      2-Propylimidazole|CS-W013667
      50995-95-4

    References

    • Langenbeck et al. Justus Liebigs Annalen der Chemie, 1954 , vol. 585, p. 68,79

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   1.3622
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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