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

  • CAS No. 32996-16-0

  • Cat. No. CS-0037721
  • Purity≥98%
  • MDL No.MFCD01074506

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

Ethyl 1H-indole-5-carboxylate|CS-0037721

Structure of 32996-16-0

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General Information

  • CAS No. 32996-16-0
  • Cat. No. CS-0037721
  • Purity ≥98%
  • MDL No. MFCD01074506
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight None
  • Synonym(s) Ethyl indole-5-carboxylate
  • SMILES CCOC(=O)C1=CC=C2C(=C1)C=CN2

Description

Ethyl 1H-indole-5-carboxylate features a substituted indole core with a carboxylate ester at the C5 position, enabling direct incorporation into diverse heterocyclic syntheses. This bench-stable, moisture-tolerant reagent integrates readily into transition-metal-catalyzed coupling reactions and serves as a key building block for bioactive molecule scaffolds.

Application

Ethyl 1H-indole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to indole-based scaffolds through standard functional group transformations. Its ethyl ester group facilitates nucleophilic acyl substitution and reduction reactions, while the indole core offers predictable regioselectivity in electrophilic and transition-metal-catalyzed couplings. Bench-stable and readily purified by chromatography, it functions reliably in medicinal chemistry and process development workflows.

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

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