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Methyl 2-formyl-1H-indole-5-carboxylate

  • CAS No. 880360-85-0

  • Cat. No. CS-0062133
  • Purity≥96%
  • MDL No.MFCD20528190

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

Methyl 2-formyl-1H-indole-5-carboxylate|CS-0062133

Structure of 880360-85-0

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General Information

  • CAS No. 880360-85-0
  • Cat. No. CS-0062133
  • Purity ≥96%
  • MDL No. MFCD20528190
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) 2-formyl-1H-Indole-5-carboxylic acid methyl ester
  • SMILES O=C(C1=CC2=C(NC(C=O)=C2)C=C1)OC

Description

Methyl 2-formyl-1H-indole-5-carboxylate features a dual functionalization at the indole core, combining a formyl group at C2 and a methyl ester at C5. This electron-deficient scaffold enables direct incorporation into transition-metal-catalyzed couplings and facilitates rapid diversification via nucleophilic addition or condensation reactions under mild conditions.

Application

Methyl 2-formyl-1H-indole-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to biologically relevant indole scaffolds. The orthogonal functionality of the formyl and ester groups facilitates sequential transformations, including reductive amination, condensation reactions, and transition-metal-catalyzed couplings. Its bench-stable nature and compatibility with standard purification protocols make it well-suited for medicinal chemistry campaigns and process development.

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

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   1.767
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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