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CS-W001157 4
Total: USD 88.00

2-(1H-Imidazol-1-yl)acetonitrile

  • CAS No. 98873-55-3

  • Cat. No. CS-W021375
  • Purity≥97%
  • MDL No.MFCD06421433

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

2-(1H-Imidazol-1-yl)acetonitrile|CS-W021375

Structure of 98873-55-3

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General Information

  • CAS No. 98873-55-3
  • Cat. No. CS-W021375
  • Purity ≥97%
  • MDL No. MFCD06421433
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) Imidazol-1-ylacetonitrile
  • SMILES N#CCN1C=CN=C1

Description

2-(1H-Imidazol-1-yl)acetonitrile features a polar imidazole ring conjugated to a nitrile-bearing acetyl side chain, enabling strong coordination in transition metal complexes and facilitating nucleophilic functionalization. This bench-stable compound integrates readily into ligand design for catalysis and serves as a key scaffold in bioactive molecule synthesis.

Application

2-(1H-Imidazol-1-yl)acetonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of imidazole-containing scaffolds through nucleophilic substitution and coupling reactions. The nitrile group provides a handle for further functionalization, while the imidazole moiety offers hydrogen-bonding capacity and potential for metal coordination. Bench-stable and compatible with a range of reaction conditions, it facilitates efficient access to heterocyclic intermediates relevant to medicinal chemistry and agrochemical development.

Synthesis

  • Route1
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      590-17-0
    • ~67%
    • In-stock
      2-(1H-Imidazol-1-yl)acetonitrile|CS-W021375
      98873-55-3

    References

    • Litzinger, Elizabeth A.; Martasek, Pavel; Roman, Linda J.; Silverman, Richard B. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 9 p. 3185 - 3198
  • Route2
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      107-14-2
    • ~%
    • In-stock
      2-(1H-Imidazol-1-yl)acetonitrile|CS-W021375
      98873-55-3

    References

    • Tetrahedron, , vol. 52, # 48 p. 15171 - 15188

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

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.40668
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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