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CS-W001157 4
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Ethyl 5-methoxy-1H-indole-2-carboxylate

  • CAS No. 4792-58-9

  • Cat. No. CS-W014763
  • Molecule weight219.24
  • Purity≥97%
  • MDL No.MFCD00047163

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

Ethyl 5-methoxy-1H-indole-2-carboxylate|CS-W014763

Structure of 4792-58-9

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General Information

  • CAS No. 4792-58-9
  • Cat. No. CS-W014763
  • Purity ≥97%
  • MDL No. MFCD00047163
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₃
  • Molecular Weight 219.24
  • Synonym(s) Methoxy-5 indole carboxylate d'ethyle-2
  • SMILES O=C(C(N1)=CC2=C1C=CC(OC)=C2)OCC

Description

Ethyl 5-methoxy-1H-indole-2-carboxylate features a bench-stable indole core with a strategically positioned methoxy group at the 5-position, enhancing electron density at C5. The ester functionality at C2 enables direct integration into coupling reactions, facilitating rapid access to substituted indole architectures in medicinal chemistry and materials synthesis.

Application

Ethyl 5-methoxy-1H-indole-2-carboxylate serves as a versatile building block for indole-based scaffolds, enabling efficient access to functionalized heterocycles via palladium-catalyzed cross-coupling and electrophilic substitution. The ethyl ester group facilitates downstream derivatization, while the 5-methoxy substituent enhances solubility and modulates reactivity. Bench-stable and readily purified by column chromatography, it functions effectively in medicinal chemistry and API intermediate synthesis.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   51.32
  • LogP   2.3532
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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