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CS-W001157 4
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2-(5,6-Difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile

  • CAS No. 2083617-82-5

  • Cat. No. CS-0112227
  • Purity≥97%
  • MDL No.None

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

2-(5,6-Difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile|CS-0112227

Structure of 2083617-82-5

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General Information

  • CAS No. 2083617-82-5
  • Cat. No. CS-0112227
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₄F₂N₂O
  • Molecular Weight 230.17
  • Synonym(s) 2-(5,6-Difluoro-3-oxoinden-1-ylidene)propanedinitrile
  • SMILES N#C/C(C#N)=C1CC(C2=C\1C=C(F)C(F)=C2)=O

Description

This malononitrile derivative features a rigid, electron-deficient indenone core with dual fluorine substituents enhancing metabolic stability and lipophilicity. The conjugated dienone system enables efficient Michael addition reactions, serving as a key scaffold in bioactive molecule synthesis.

Application

2-(5,6-Difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile serves as a versatile Michael acceptor and dienophile in synthetic organic chemistry. Its electron-deficient olefinic system enables efficient conjugate additions and [4+2] cycloadditions, while the difluorinated indenone core provides enhanced metabolic stability and structural rigidity. The malononitrile moiety facilitates further functionalization via Knoevenagel condensations or nucleophilic substitutions, making it valuable for constructing complex heterocyclic scaffolds in medicinal chemistry and materials science.

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-P264-P280-P302+P352-P330

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Computational Chemistry Data

  • TPSA   64.65
  • LogP   2.35196
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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