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CS-W001157 4
Total: USD 88.00

4-(3-Ethoxyphenyl)-4-oxobutanoic acid

  • CAS No. 905592-33-8

  • Cat. No. CS-0573697
  • Purity≥98%
  • MDL No.None

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

4-(3-Ethoxyphenyl)-4-oxobutanoic acid|CS-0573697

Structure of 905592-33-8

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General Information

  • CAS No. 905592-33-8
  • Cat. No. CS-0573697
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) 4-(3-Ethoxyphenyl)-4-oxobutyric acid
  • SMILES CCOC1=CC=CC(=C1)C(=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      905590-59-2
    • Ethyl 4-(3-Ethoxyphenyl)-4-oxobutanoate|CS-0713055
      905592-32-7
    • ~%
    • 4-(3-Ethoxyphenyl)-4-oxobutanoic acid|CS-0573697
      905592-33-8

    References

    • EP1845081 A1, ; EP 1845081 A1
  • Route2
    • Ethyl 4-(3-Ethoxyphenyl)-4-oxobutanoate|CS-0713055
      905592-32-7
    • ~%
    • 4-(3-Ethoxyphenyl)-4-oxobutanoic acid|CS-0573697
      905592-33-8

    References

    • WO2006/82952 A1, ; Page/Page column 82-83 ;

Safety Information

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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   63.6
  • LogP   2.1328
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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