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CS-W001157 4
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Ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate

  • CAS No. 54904-12-0

  • Cat. No. CS-0510589
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate|CS-0510589

Structure of 54904-12-0

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General Information

  • CAS No. 54904-12-0
  • Cat. No. CS-0510589
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₈ClNO₄
  • Molecular Weight 323.77
  • Synonym(s) 1H-Indole-3-propanoic acid, 5-chloro-2-(ethoxycarbonyl)-, ethyl ester
  • SMILES O=C(C(N1)=C(CCC(OCC)=O)C2=C1C=CC(Cl)=C2)OCC

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      54904-05-1
    • ~87%
    • Ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate|CS-0510589
      54904-12-0

    References

    • Rossi, Silvano; Micheli, Marcello; Giannotti, Michele; Salvatori, Americo; Peruzzi, Guidubaldo Gazzetta Chimica Italiana, 1981 , vol. 111, # 7/8 p. 365 - 370
  • Route2

    References

    • Rossi, Silvano; Micheli, Marcello; Giannotti, Michele; Salvatori, Americo; Peruzzi, Guidubaldo Gazzetta Chimica Italiana, 1981 , vol. 111, # 7/8 p. 365 - 370
  • Route3
    • null|null
      64-17-5
    • In-stock
      1-Oxocyclopentane-2-carboxylic acid ethyl ester|CS-D1430
      611-10-9
    • null|null
      106-47-8
    • ~%
    • Ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate|CS-0510589
      54904-12-0

    References

    • Menciu, Cecilia; Duflos, Muriel; Fouchard, Fabienne; Le Baut, Guillaume; Emig, Peter; Achterrath, Ute; Szelenyi, Istvan; Nickel, Bernd; Schmidt, Juergen; Kutscher, Bernhard; Guenther, Eckhardt Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 638 - 648

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.39
  • LogP   3.4937
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   6

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