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CS-W001157 4
Total: USD 88.00

3-(3,4-Diethoxyphenyl)propanoic acid

  • CAS No. 79622-99-4

  • Cat. No. CS-0299274
  • Molecule weight238.28
  • Purity≥98%
  • MDL No.None

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

3-(3,4-Diethoxyphenyl)propanoic acid|CS-0299274

Structure of 79622-99-4

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General Information

  • CAS No. 79622-99-4
  • Cat. No. CS-0299274
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₄
  • Molecular Weight 238.28
  • Synonym(s) 3-(3,4-DIETHOXY-PHENYL)-PROPIONIC ACID
  • SMILES CCOC1=C(C=C(C=C1)CCC(=O)O)OCC

Synthesis

  • Route1

    References

    • Eisai Co., Ltd. Patent: EP1468684 A1, 2004 ; Location in patent: Page/Page column 16 ;
  • Route2
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      1075748-12-7
    • ~%
    • 3-(3,4-Diethoxyphenyl)propanoic acid|CS-0299274
      79622-99-4

    References

    • ACTELION PHARMACEUTICALS LTD Patent: WO2008/132679 A1, 2008 ; Location in patent: Page/Page column 83 ; WO 2008/132679 A1
  • Route3
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      75332-49-9
    • ~%
    • 3-(3,4-Diethoxyphenyl)propanoic acid|CS-0299274
      79622-99-4

    References

    • Kindler; Peschke Archiv der Pharmazie (Weinheim, Germany), 1934 , vol. 272, p. 60,68

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.5012
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   7

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