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CS-W001157 4
Total: USD 88.00

2-Phenyl-1H-indole-5-carboxylic acid

  • CAS No. 110073-82-0

  • Cat. No. CS-0510412
  • Purity≥98%
  • MDL No.None

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

2-Phenyl-1H-indole-5-carboxylic acid|CS-0510412

Structure of 110073-82-0

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General Information

  • CAS No. 110073-82-0
  • Cat. No. CS-0510412
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NO₂
  • Molecular Weight 237.25
  • Synonym(s) 2-phenyl-5-indolecarboxylic acid
  • SMILES O=C(C1=CC2=C(NC(C3=CC=CC=C3)=C2)C=C1)O

Synthesis

  • Route1
    • Methyl 2-phenyl-1H-indole-5-carboxylate|CS-1640544
      190071-25-1
    • ~46%
    • 2-Phenyl-1H-indole-5-carboxylic acid|CS-0510412
      110073-82-0

    References

    • ASTRAZENECA AB Patent: WO2009/64251 A1, 2009 ; Location in patent: Page/Page column 142 ; WO 2009/064251 A1
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • 2-Phenyl-1H-indole-5-carboxylic acid|CS-0510412
      110073-82-0

    References

    • Fagnola, Maria Chiara; Candiani, Ilaria; Visentin, Giuseppina; Cabri, Walter; Zarini, Franco; Mongelli, Nicola; Bedeschi, Angelo Tetrahedron Letters, 1997 , vol. 38, # 13 p. 2307 - 2310
  • Route3

    References

    • Fagnola, Maria Chiara; Candiani, Ilaria; Visentin, Giuseppina; Cabri, Walter; Zarini, Franco; Mongelli, Nicola; Bedeschi, Angelo Tetrahedron Letters, 1997 , vol. 38, # 13 p. 2307 - 2310

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   3.5331
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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