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2-(3-Cyano-4,5,5-trimethylfuran-2(5H)-ylidene)malononitrile

  • CAS No. 171082-32-9

  • Cat. No. CS-0129090
  • Purity≥98%
  • MDL No.MFCD29086918

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

2-(3-Cyano-4,5,5-trimethylfuran-2(5H)-ylidene)malononitrile|CS-0129090

Structure of 171082-32-9

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General Information

  • CAS No. 171082-32-9
  • Cat. No. CS-0129090
  • Purity ≥98%
  • MDL No. MFCD29086918
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₃O
  • Molecular Weight 199.21
  • Synonym(s) 2-(3-Cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile
  • SMILES N#CC(C#N)=C1OC(C(=C1C#N)C)(C)C

Description

This malononitrile derivative features a cyano-substituted furan core with trimethyl groups enhancing steric shielding and electronic stabilization. The conjugated system enables efficient charge transfer, making it ideal for constructing donor-acceptor architectures in organic semiconductors and nonlinear optical materials under standard bench conditions.

Application

2-(3-Cyano-4,5,5-trimethylfuran-2(5H)-ylidene)malononitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted furan and pyrrole scaffolds via cycloaddition and condensation reactions. Its conjugated dinitrile system exhibits enhanced bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   80.6
  • LogP   1.93654
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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