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CS-W001157 4
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3-Methyl-1H-indole-5-carbonitrile

  • CAS No. 3613-06-7

  • Cat. No. CS-0103492
  • Purity≥97%
  • MDL No.MFCD15523476

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

3-Methyl-1H-indole-5-carbonitrile|CS-0103492

Structure of 3613-06-7

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General Information

  • CAS No. 3613-06-7
  • Cat. No. CS-0103492
  • Purity ≥97%
  • MDL No. MFCD15523476
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.18
  • Synonym(s) 1H-INDOLE-5-CARBONITRILE,3-METHYL-
  • SMILES N#CC1=CC2=C(NC=C2C)C=C1

Description

3-Methyl-1H-indole-5-carbonitrile features a conjugated indole core with a nitrile group at the 5-position and a methyl substituent at the 3-position. This electron-deficient heterocycle integrates readily into synthetic routes for bioactive molecules, offering enhanced metabolic stability and favorable solubility profiles under standard conditions.

Application

3-Methyl-1H-indole-5-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to indole-based scaffolds through standard functional group transformations. Its nitrile group facilitates conjugate addition, amidation, and cyclization reactions, while the methyl substituent enhances metabolic stability in bioactive molecule design. Bench-stable and readily purified by column chromatography, it functions reliably in multistep syntheses for pharmaceutical intermediates and agrochemicals.

Synthesis

  • Route1
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    • null|null
      106-95-6
    • ~%
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      1202512-82-0
    • In-stock
      3-Methyl-1H-indole-5-carbonitrile|CS-0103492
      3613-06-7

    References

    • Weinrich, Melissa L.; Beck, Hilary P. Tetrahedron Letters, 2009 , vol. 50, # 50 p. 6968 - 6972

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.348
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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