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2-(1H-Indol-5-yl)acetonitrile

  • CAS No. 23690-49-5

  • Cat. No. CS-0163694
  • Purity≥98%
  • MDL No.MFCD09263862

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

2-(1H-Indol-5-yl)acetonitrile|CS-0163694

Structure of 23690-49-5

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General Information

  • CAS No. 23690-49-5
  • Cat. No. CS-0163694
  • Purity ≥98%
  • MDL No. MFCD09263862
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.18
  • Synonym(s) Indole-5-acetonitrile(8CI)
  • SMILES N#CCC1=CC2=C(NC=C2)C=C1

Description

2-(1H-Indol-5-yl)acetonitrile features a conjugated indole scaffold linked to a nitrile group, enabling integration into bioactive molecule scaffolds. This bench-stable derivative exhibits favorable solubility in organic solvents and serves as a key intermediate for pharmaceutical and agrochemical synthesis.

Application

2-(1H-Indol-5-yl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to indole-based scaffolds through nucleophilic addition and subsequent functionalization. The nitrile group facilitates selective transformations, including hydrolysis to carboxylic acids or reduction to primary amines, while the indole core supports diverse derivatization under standard reaction conditions. Its bench-stable nature and compatibility with common coupling protocols make it a practical choice for synthesis of bioactive molecules and heterocyclic intermediates.

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

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   2.23398
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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