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CS-W001157 4
Total: USD 88.00

2,3-Dihydro-γ-oxo-1,4-benzodioxin-6-butanoic acid

  • CAS No. 54557-81-2

  • Cat. No. CS-0207146
  • Molecule weight236.22
  • Purity≥95%
  • MDL No.MFCD00168683

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

2,3-Dihydro-γ-oxo-1,4-benzodioxin-6-butanoic acid|CS-0207146

Structure of 54557-81-2

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General Information

  • CAS No. 54557-81-2
  • Cat. No. CS-0207146
  • Purity ≥95%
  • MDL No. MFCD00168683
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid
  • SMILES C1=CC2=C(C=C1C(=O)CCC(=O)O)OCCO2

Synthesis

  • Route1
    • Ethyl 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoate|CS-0299103
      951889-31-9
    • ~91%
    • 2,3-Dihydro-γ-oxo-1,4-benzodioxin-6-butanoic acid|CS-0207146
      54557-81-2

    References

    • Harrak; Rosell; Daidone; Plescia; Schillaci; Pujol Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 14 p. 4876 - 4890
  • Route2

    References

    • Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, , vol. 18/5 A, p. 1,4

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   1.5053
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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