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CS-W001157 4
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3-Methyl-1H-indole-2-carboxylic acid

  • CAS No. 10590-73-5

  • Cat. No. CS-0105028
  • Purity≥97%
  • MDL No.MFCD01652241

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

3-Methyl-1H-indole-2-carboxylic acid|CS-0105028

Structure of 10590-73-5

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General Information

  • CAS No. 10590-73-5
  • Cat. No. CS-0105028
  • Purity ≥97%
  • MDL No. MFCD01652241
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 3-Methyl-1H-indol-2-carboxylic acid
  • SMILES CC1=C(C(O)=O)NC2=CC=CC=C21

Description

3-Methyl-1H-indole-2-carboxylic acid features a fused indolic core with a methyl group at the 3-position and a carboxylic acid at C2, enabling direct integration into bioactive molecule scaffolds. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, particularly for targeting receptor-ligand interactions in CNS and oncology applications.

Application

3-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 carboxylic acid functionality exhibits excellent compatibility with diverse reaction conditions, while the methyl-substituted indole core provides enhanced stability and favorable solubility for bench-scale synthesis. Functions effectively in solid-phase and solution-phase workflows, facilitating rapid diversification of bioactive heterocycles.

Synthesis

  • Route1
    • In-stock
      Skatole|CS-W007355
      83-34-1
    • null|null
      124-38-9
    • ~%
    • In-stock
      3-Methyl-1H-indole-2-carboxylic acid|CS-0105028
      10590-73-5

    References

    • US2004/43965 A1, ; Page/Page column 21-22 ;
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • In-stock
      Skatole|CS-W007355
      83-34-1
    • null|null
      594-19-4
    • ~%
    • In-stock
      3-Methyl-1H-indole-2-carboxylic acid|CS-0105028
      10590-73-5

    References

    • US5489593 A1, ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 14 p. 4511 - 4525

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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