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CS-W001157 4
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Ethyl 2-(5-methoxy-1H-indol-3-yl)acetate

  • CAS No. 57000-49-4

  • Cat. No. CS-0511644
  • Molecule weight233.26
  • Purity≥98%
  • MDL No.MFCD12912003

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

Ethyl 2-(5-methoxy-1H-indol-3-yl)acetate|CS-0511644

Structure of 57000-49-4

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General Information

  • CAS No. 57000-49-4
  • Cat. No. CS-0511644
  • Purity ≥98%
  • MDL No. MFCD12912003
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₃
  • Molecular Weight 233.26
  • Synonym(s) 5-Methoxy-1H-indole-3-acetic acid ethyl ester
  • SMILES O=C(OCC)CC1=CNC2=C1C=C(OC)C=C2

Synthesis

  • Route1
    • null|null
      111795-97-2
    • ~37%
    • Ethyl 2-(5-methoxy-1H-indol-3-yl)acetate|CS-0511644
      57000-49-4

    References

    • Makosza, Mieczyslaw; Danikiewicz, Witold; Wojciechowski, Krzysztof Liebigs Annalen der Chemie, 1988 , p. 203 - 208
  • Route2

    References

    • Boularot, Adrien; Giglione, Carmela; Petit, Sylvain; Duroc, Yann; De Sousa, Rodolphe Alves; Larue, Valery; Cresteil, Thierry; Dardel, Frederic; Artaud, Isabelle; Meinnel, Thierry Journal of Medicinal Chemistry, 2007 , vol. 50, # 1 p. 10 - 20
  • Route3

    References

    • Beck, Anthony L.; Mascal, Mark; Moody, Christopher J.; Coates, William J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 7 p. 813 - 822

Safety Information

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Computational Chemistry Data

  • TPSA   51.32
  • LogP   2.2821
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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