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CS-W001157 4
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5,5'-(Ethyne-1,2-diyl)diisophthalaldehyde

  • CAS No. 2237965-02-3

  • Cat. No. CS-0111194
  • Molecule weight290.27
  • Purity≥95%
  • MDL No.None

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

5,5'-(Ethyne-1,2-diyl)diisophthalaldehyde|CS-0111194

Structure of 2237965-02-3

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General Information

  • CAS No. 2237965-02-3
  • Cat. No. CS-0111194
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₀O₄
  • Molecular Weight 290.27
  • Synonym(s) None
  • SMILES O=CC1=CC(C=O)=CC(C#CC2=CC(C=O)=CC(C=O)=C2)=C1

Description

This ethyne-bridged bisaldehyde features two isophthalaldehyde units linked by a rigid acetylene spacer, enabling efficient conjugation in macrocyclic and polymeric architectures. The aldehyde groups offer high reactivity for imine formation and metal coordination, while the linear, electron-deficient backbone enhances structural rigidity and solubility in organic media.

Application

5,5'-(Ethyne-1,2-diyl)diisophthalaldehyde serves as a versatile bifunctional aldehyde building block for the synthesis of conjugated polymers and molecular scaffolds. Its terminal alkyne groups enable efficient Sonogashira coupling, while the ortho-aldehyde functionalities facilitate imine formation and cyclization reactions. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in materials chemistry and medicinal chemistry applications.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   68.28
  • LogP   2.3364
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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