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CS-W001157 4
Total: USD 88.00

4-Butyryl-1H-pyrrole-2-carboxylic acid

  • CAS No. 111468-95-2

  • Cat. No. CS-0557605
  • Molecule weight181.19
  • Purity≥98%
  • MDL No.None

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

4-Butyryl-1H-pyrrole-2-carboxylic acid|CS-0557605

Structure of 111468-95-2

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General Information

  • CAS No. 111468-95-2
  • Cat. No. CS-0557605
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) butyrylpyrrolecarboxylicacid
  • SMILES CCCC(=O)C1=CNC(=C1)C(=O)O

Synthesis

  • Route1
    • 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one|CS-0339364
      111468-91-8
    • ~78%
    • 4-Butyryl-1H-pyrrole-2-carboxylic acid|CS-0557605
      111468-95-2

    References

    • Journal of Organic Chemistry, , vol. 53, # 2 p. 403 - 407
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 53, # 2 p. 403 - 407

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.6957
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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