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CS-W001157 4
Total: USD 88.00

4-Phenylimidazole

  • CAS No. 670-95-1

  • Cat. No. CS-W016387
  • Purity≥97%
  • MDL No.MFCD00005197

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

4-Phenylimidazole|CS-W016387

Structure of 670-95-1

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General Information

  • CAS No. 670-95-1
  • Cat. No. CS-W016387
  • Purity ≥97%
  • MDL No. MFCD00005197
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂
  • Molecular Weight 144.17
  • Synonym(s) 5-Phenyl-1H-imidazole
  • SMILES C1(C2=CN=CN2)=CC=CC=C1

Description

4-Phenylimidazole was used to investigate the protein-ligand interactions in cytochrome P450 from the thermoacidophile Picrophilus torridus. It was used as heme ligand during the crystallization of recombinant human indoleamine 2,3-dioxygenase. It was used in the synthesis of complexes of copper and cobalt.

Application

4-Phenylimidazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through direct functionalization at the imidazole ring. Its stability under standard reaction conditions and tolerance to diverse functional groups facilitate downstream derivatization in coupling and cyclization protocols. The phenyl-substituted imidazole core provides structural rigidity and π-stacking potential, making it valuable for ligand design and target-oriented synthesis.

Synthesis

  • Route1

    References

    • S BIO PTE LTD Patent: WO2009/93981 A1, 2009 ; Location in patent: Page/Page column 97 ; WO 2009/093981 A1
  • Route2

    References

    • Bellina, Fabio; Cauteruccio, Silvia; Rossi, Renzo Journal of Organic Chemistry, 2007 , vol. 72, # 22 p. 8543 - 8546
  • Route3
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      77287-34-4
    • null|null
      70-11-1
    • ~%
    • In-stock
      4-Phenylimidazole|CS-W016387
      670-95-1

    References

    • Chemische Berichte, , vol. 86, p. 88,95 Angewandte Chemie, , vol. 71, p. 753,757 Chemische Berichte, , vol. 95, p. 2049,2052,2053

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.0767
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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