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CS-W001157 4
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5-Formyl-4-methyl-1H-indole-2-carbonitrile

  • CAS No. 1857296-22-0

  • Cat. No. CS-B1778
  • Molecule weight184.19
  • Purity≥97%
  • MDL No.MFCD31567509

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

5-Formyl-4-methyl-1H-indole-2-carbonitrile|CS-B1778

Structure of 1857296-22-0

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General Information

  • CAS No. 1857296-22-0
  • Cat. No. CS-B1778
  • Purity ≥97%
  • MDL No. MFCD31567509
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂O
  • Molecular Weight 184.19
  • Synonym(s) None
  • SMILES N#CC(N1)=CC2=C1C=CC(C=O)=C2C

Description

5-Formyl-4-methyl-1H-indole-2-carbonitrile features a fused indole core functionalized with formyl, methyl, and nitrile groups at strategic positions. This electronic profile enables direct participation in transition-metal-catalyzed couplings and cycloadditions. The formyl group offers a handle for derivatization via nucleophilic addition or oxime formation, while the electron-deficient carbonitrile enhances reactivity in conjugate addition processes. Bench-stable under standard conditions, it serves as a modular scaffold for bioactive heterocycle synthesis.

Application

5-Formyl-4-methyl-1H-indole-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indole scaffolds. The aldehyde and nitrile functionalities facilitate diverse transformations including reductive amination, nucleophilic addition, and condensation reactions. Its bench-stable nature and compatibility with common protecting group strategies make it well-suited for multi-step synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P261-P280-P304+P340-P405

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   2.1605
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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