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CS-W001157 4
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1-Benzyl-1H-imidazole-2-carboxylic acid

  • CAS No. 16042-26-5

  • Cat. No. CS-0447675
  • Molecule weight202.21
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-1H-imidazole-2-carboxylic acid|CS-0447675

Structure of 16042-26-5

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General Information

  • CAS No. 16042-26-5
  • Cat. No. CS-0447675
  • 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-BENZYL-2-IMIDAZOLECARBOXYLIC ACID
  • SMILES C1=CC=C(C=C1)CN2C=CN=C2C(=O)O

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LAVOIE, Rico; JAMES, Clint A.; RUEDIGER, Edward H. Patent: WO2010/138488 A1, 2010 ; Location in patent: Page/Page column 151-152 ; WO 2010/138488 A1
  • Route2
    • 1-Benzyl-1h-imidazole-2-carbaldehyde|CS-0216805
      10045-65-5
    • ~98%
    • 1-Benzyl-1H-imidazole-2-carboxylic acid|CS-0447675
      16042-26-5

    References

    • Kleyi, Phumelele; Walmsley, Ryan S.; Gundhla, Isaac Z.; Walmsley, Tara A.; Jauka, Tembisa I.; Dames, Joanna; Walker, Roderick B.; Torto, Nelson; Tshentu, Zenixole R. South African Journal of Chemistry, 2012 , vol. 65, p. 231 - 238
  • Route3
    • N-benzyl-2,2-diethoxyethan-1-amine|CS-0315767
      61190-10-1
    • ~%
    • 1-Benzyl-1H-imidazole-2-carboxylic acid|CS-0447675
      16042-26-5

    References

    • Jones Journal of the American Chemical Society, 1949 , vol. 71, p. 383,384

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.6296
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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