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CS-W001157 4
Total: USD 88.00

1-Methyl-4-phenyl-1H-imidazole-5-carboxylic acid

  • CAS No. 655253-58-0

  • Cat. No. CS-0573237
  • Purity≥98%
  • MDL No.None

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

1-Methyl-4-phenyl-1H-imidazole-5-carboxylic acid|CS-0573237

Structure of 655253-58-0

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General Information

  • CAS No. 655253-58-0
  • Cat. No. CS-0573237
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) 1-methyl-4-phenyl-1H-imidazol-5-carboxylic acid
  • SMILES CN1C=NC(=C1C(=O)O)C2=CC=CC=C2

Synthesis

  • Route1
    • 1-Methyl-4-phenyl-1H-imidazole-5-carbaldehyde|CS-0513105
      158585-82-1
    • ~68%
    • 1-Methyl-4-phenyl-1H-imidazole-5-carboxylic acid|CS-0573237
      655253-58-0

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/13141 A1, 2004 ; Location in patent: Page 84 ; WO 2004/013141 A1
  • Route2
    • null|null
      655253-57-9
    • ~%
    • 1-Methyl-4-phenyl-1H-imidazole-5-carboxylic acid|CS-0573237
      655253-58-0

    References

    • Luke, Richard W.A.; Ballard, Peter; Buttar, David; Campbell, Leonie; Curwen, Jon; Emery, Steve C.; Griffen, Alison M.; Hassall, Lorraine; Hayter, Barry R.; Jones, Cliff D.; McCoull, William; Mellor, Martine; Swain, Mike L.; Tucker, Julie A. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 23 p. 6670 - 6674

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.7853
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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