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CS-W001157 4
Total: USD 88.00

4-Methyl-1H-indole-2-carboxylic acid

  • CAS No. 18474-57-2

  • Cat. No. CS-W005497
  • Purity≥98%
  • MDL No.MFCD02664476

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

4-Methyl-1H-indole-2-carboxylic acid|CS-W005497

Structure of 18474-57-2

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General Information

  • CAS No. 18474-57-2
  • Cat. No. CS-W005497
  • Purity ≥98%
  • MDL No. MFCD02664476
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 4-METHYLINDOLE-2-CARBOXYLIC ACID
  • SMILES O=C(C(N1)=CC2=C1C=CC=C2C)O

Description

4-Methyl-1H-indole-2-carboxylic acid features a sterically accessible carboxylic acid group at the 2-position of a methyl-substituted indole core, enabling direct conjugation in peptide and heterocyclic synthesis. This bench-stable derivative integrates readily into bioactive molecule scaffolds due to its electron-rich aromatic system and favorable solubility profile under standard conditions.

Application

4-Methyl-1H-indole-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to indole-based scaffolds through standard amide coupling and decarboxylation protocols. Its bench-stable nature and compatibility with diverse functional groups facilitate straightforward incorporation into target molecules. The methyl group at the 4-position provides a handle for further derivatization, while the carboxylic acid functionality supports direct conjugation or activation in peptide and macrocycle synthesis.

Synthesis

  • Route1

    References

    • US5489593 A1, ;
  • Route2
    • null|null
      70467-01-5
    • ~%
    • In-stock
      4-Methyl-1H-indole-2-carboxylic acid|CS-W005497
      18474-57-2

    References

    • Gazzetta Chimica Italiana, , vol. 87, p. 949,953, 958
  • Route3
    • null|null
      83-41-0
    • ~%
    • In-stock
      4-Methyl-1H-indole-2-carboxylic acid|CS-W005497
      18474-57-2

    References

    • Gazzetta Chimica Italiana, , vol. 87, p. 949,953, 958

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   53.09
  • LogP   2.17452
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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