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2-Methylindoline-6-carbonitrile

  • CAS No. 1391291-50-1

  • Cat. No. CS-0163700
  • Purity≥98%
  • MDL No.MFCD22518630

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

2-Methylindoline-6-carbonitrile|CS-0163700

Structure of 1391291-50-1

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General Information

  • CAS No. 1391291-50-1
  • Cat. No. CS-0163700
  • Purity ≥98%
  • MDL No. MFCD22518630
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES N#CC1=CC2=C(C=C1)CC(C)N2

Description

2-Methylindoline-6-carbonitrile features a fused indoline core with a methyl group at the 2-position and a nitrile functionality at the 6-position, offering enhanced electron-withdrawing character. This scaffold serves as a key building block in medicinal chemistry, particularly for kinase inhibitors and bioactive heterocycles. The compound exhibits good stability under standard conditions and facilitates efficient derivatization via nucleophilic addition or coupling reactions.

Application

2-Methylindoline-6-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its nitrile group provides a handle for downstream functionalization, while the indoline core offers structural rigidity and favorable pharmacophoric properties. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis campaigns in API development.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.91478
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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