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CS-W001157 4
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Ethyl 4-((2-ethoxy-2-oxoethyl)thio)butanoate

  • CAS No. 63449-37-6

  • Cat. No. CS-0361527
  • Molecule weight234.31
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-((2-ethoxy-2-oxoethyl)thio)butanoate|CS-0361527

Structure of 63449-37-6

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General Information

  • CAS No. 63449-37-6
  • Cat. No. CS-0361527
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₄S
  • Molecular Weight 234.31
  • Synonym(s) Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]butanoate
  • SMILES O=C(OCC)CCCSCC(OCC)=O

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG; BERGERON, Philippe; BODIL VAN NIEL, Monique; DRAGOVICH, Peter; HURLEY, Christopher; KULAGOWSKI, Janusz; LABADIE, Sharada; MCLEAN, Neville James; MENDONCA, Rohan; PULK, Rebecca; ZAK, Mark Patent: WO2013/7765 A1, 2013 ; Location in patent: Page/Page column 106 ; WO 2013/007765 A1
  • Route2
    • null|null
      3153-36-4
    • null|null
      623-51-8
    • ~76%
    • Ethyl 4-((2-ethoxy-2-oxoethyl)thio)butanoate|CS-0361527
      63449-37-6

    References

    • Hamon, Jacques; Espaze, Florence; Vignon, Jacques; Kamenka, Jean-Marc European Journal of Medicinal Chemistry, 1999 , vol. 34, # 2 p. 125 - 135
  • Route3
    • null|null
      3153-36-4
    • null|null
      141-52-6
    • null|null
      623-51-8
    • ~%
    • Ethyl 4-((2-ethoxy-2-oxoethyl)thio)butanoate|CS-0361527
      63449-37-6

    References

    • Journal of the American Chemical Society, , vol. 74, p. 1569,1572 Journal of the American Chemical Society, , vol. 74, p. 917,919

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

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.626
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   8

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