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CS-W001157 4
Total: USD 88.00

Ethyl indole-2-carboxylate

  • CAS No. 3770-50-1

  • Cat. No. CS-D1745
  • Purity≥97%
  • MDL No.MFCD00005609

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

Ethyl indole-2-carboxylate|CS-D1745

Structure of 3770-50-1

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General Information

  • CAS No. 3770-50-1
  • Cat. No. CS-D1745
  • Purity ≥97%
  • MDL No. MFCD00005609
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 2-Carbethoxyindole; 2-Ethoxycarbonylindole
  • SMILES O=C(C(N1)=CC2=C1C=CC=C2)OCC

Application

Ethyl indole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling direct functionalization at the C3 position of the indole core. Its ester group facilitates subsequent transformations including hydrolysis, reduction, and cross-coupling reactions. The molecule exhibits good bench stability and is compatible with standard reaction conditions, making it suitable for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      1464963-64-1
    • ~96%
    • In-stock
      Ethyl indole-2-carboxylate|CS-D1745
      3770-50-1

    References

    • Huang, Hui; Yang, Yuan; Zhang, Xiaoyun; Zeng, Weilan; Liang, Yun Tetrahedron Letters, 2013 , vol. 54, # 45 p. 6049 - 6052
  • Route2
    • In-stock
      Indole-2-carboxylic acid|CS-M1850
      1477-50-5
    • null|null
      64-17-5
    • ~98%
    • In-stock
      Ethyl indole-2-carboxylate|CS-D1745
      3770-50-1

    References

    • Le Borgne, Marc; Na, Young Min; Pagniez, Fabrice; Le Baut, Guillaume; Le Pape, Patrice; Abdala, Hiam Patent: US2004/67998 A1, 2004 ; Location in patent: Page/Page column 13 ;
  • Route3
    • null|null
      24512-96-7
    • ~78%
    • In-stock
      Ethyl indole-2-carboxylate|CS-D1745
      3770-50-1

    References

    • Heaner Iv, William L.; Gelbaum, Carol S.; Gelbaum, Leslie; Pollet, Pamela; Richman, Kent W.; Dubay, William; Butler, Jeffrey D.; Wells, Gregory; Liotta, Charles L. RSC Advances, 2013 , vol. 3, # 32 p. 13232 - 13242

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.3446
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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