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2-(5,6-Dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile

  • CAS No. 2197167-50-1

  • Cat. No. CS-0163642
  • Purity≥98%
  • MDL No.None

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

2-(5,6-Dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile|CS-0163642

Structure of 2197167-50-1

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General Information

  • CAS No. 2197167-50-1
  • Cat. No. CS-0163642
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₄Cl₂N₂O
  • Molecular Weight 263.08
  • Synonym(s) 2-(5,6-Dichloro-2,3-dihydro-3-oxo-1H-inden-1-ylidene)propanedinitrile
  • SMILES N#C/C(C#N)=C1CC(C2=C\1C=C(Cl)C(Cl)=C2)=O

Description

This malononitrile derivative features a rigid, electron-deficient indenone core with dual chlorine substituents enhancing reactivity and stability. The conjugated system enables efficient participation in cycloaddition and Michael addition reactions. Designed for synthetic applications requiring high functional group tolerance and predictable regiochemistry under standard conditions.

Application

2-(5,6-Dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile serves as a versatile Michael acceptor and dihydroindene-building block in synthetic organic chemistry. Its electron-deficient alkene enables efficient conjugate additions with nucleophiles, while the dichloro-substituted indenone core provides structural rigidity and functional group tolerance. The molecule exhibits bench stability and facilitates straightforward purification, making it well-suited for use in heterocyclic synthesis and medicinal chemistry lead optimization workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P280-P302+P352-P304+P340-P330-P361

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Computational Chemistry Data

  • TPSA   64.65
  • LogP   3.38056
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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