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CS-W001157 4
Total: USD 88.00

Indole-4-carboxylic acid, methyl ester

  • CAS No. 39830-66-5

  • Cat. No. CS-D1452
  • Purity≥98%
  • MDL No.MFCD00191222

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

Indole-4-carboxylic acid, methyl ester|CS-D1452

Structure of 39830-66-5

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General Information

  • CAS No. 39830-66-5
  • Cat. No. CS-D1452
  • Purity ≥98%
  • MDL No. MFCD00191222
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 4-Methoxycarbonylindole; Methyl 1H-indole-4-carboxylate; Methyl 4-indolecarboxylate; Indole-4-carboxylic Acid Methyl Ester
  • SMILES O=C(C1=CC=CC2=C1C=CN2)OC

Description

Methyl 4-indolecarboxylate features a polar ester group appended to the indole core, enhancing solubility in organic solvents while retaining the aromatic stability of the heterocyclic scaffold. This derivative serves as a key intermediate in synthesizing indole-based pharmaceuticals and functional materials, enabling direct coupling reactions without protection.

Application

Methyl 4-indolecarboxylate serves as a versatile building block for indole-based heterocycles and pharmaceutical intermediates. Its carboxylate functionality enables straightforward derivatization via ester hydrolysis, amidation, or coupling reactions. The molecule exhibits good bench stability and facilitates efficient functionalization at the C4 position of the indole core, supporting diverse synthetic routes in medicinal chemistry 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   1.9545
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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