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CS-W001157 4
Total: USD 88.00

4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid

  • CAS No. 55558-77-5

  • Cat. No. CS-0126920
  • Molecule weight222.19
  • Purity≥98%
  • MDL No.MFCD06660462

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

4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid|CS-0126920

Structure of 55558-77-5

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General Information

  • CAS No. 55558-77-5
  • Cat. No. CS-0126920
  • Purity ≥98%
  • MDL No. MFCD06660462
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₅
  • Molecular Weight 222.19
  • Synonym(s) 4-(4-Methoxy-phenyl)-2,4-dioxo-butyric acid
  • SMILES O=C(O)C(CC(C1=CC=C(OC)C=C1)=O)=O

Synthesis

  • Route1
    • Ethyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate|CS-0112869
      35322-20-4
    • ~61%
    • 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid|CS-0126920
      55558-77-5

    References

    • Braga, Remi; Hecquet, Laurence; Blonski, Casimir Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 11 p. 2965 - 2972
  • Route2

    References

    • Braga, Remi; Hecquet, Laurence; Blonski, Casimir Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 11 p. 2965 - 2972
  • Route3

    References

    • Robinson; Schwarzenbach Journal of the Chemical Society, 1930 , p. 822,826

Safety Information

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

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Computational Chemistry Data

  • TPSA   80.67
  • LogP   0.9217
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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