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3-Formyl-1H-indole-6-carbonitrile

  • CAS No. 83783-33-9

  • Cat. No. CS-0043779
  • Purity≥98%
  • MDL No.MFCD06657155

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

3-Formyl-1H-indole-6-carbonitrile|CS-0043779

Structure of 83783-33-9

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General Information

  • CAS No. 83783-33-9
  • Cat. No. CS-0043779
  • Purity ≥98%
  • MDL No. MFCD06657155
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O
  • Molecular Weight 170.17
  • Synonym(s) 6-Cyanoindole-3-carboxaldehyde
  • SMILES N#CC1=CC2=C(C=C1)C(C=O)=CN2

Description

3-Formyl-1H-indole-6-carbonitrile features a fused indole core bearing both aldehyde and nitrile functionalities at positions 3 and 6, respectively. This dual functionality enables direct incorporation into multicomponent reactions and facilitates rapid diversification in medicinal chemistry campaigns. The molecule exhibits enhanced solubility in polar organic solvents and maintains stability under standard bench conditions, supporting efficient handling in synthetic workflows.

Application

3-Formyl-1H-indole-6-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to indole-based heterocycles through standard functional group transformations. The aldehyde and nitrile groups offer orthogonal reactivity for conjugate additions, cyclizations, and derivatization, supporting rapid scaffold diversification. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for high-throughput synthesis and process development 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 : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   1.85208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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