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Ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate)

  • CAS No. 1732-96-3

  • Cat. No. CS-0155759
  • Molecule weight410.29
  • Purity≥98%
  • MDL No.MFCD00082947

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

Ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate)|CS-0155759

Structure of 1732-96-3

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General Information

  • CAS No. 1732-96-3
  • Cat. No. CS-0155759
  • Purity ≥98%
  • MDL No. MFCD00082947
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₀O₁₀
  • Molecular Weight 410.29
  • Synonym(s) Ethylene Glycol Bis(anhydrotrimellitate)
  • SMILES C1=CC2=C(C=C1C(=O)OCCOC(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O

Description

Ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate) features two electron-deficient isobenzofuran dicarboxylate units linked by a flexible ethylene bridge. This bifunctional reagent enables efficient conjugation in synthetic transformations, particularly in the construction of complex heterocyclic architectures under mild conditions. The molecule exhibits enhanced stability and controlled reactivity, facilitating precise molecular integration in advanced organic synthesis workflows.

Application

Ethane-1,2-diyl bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate) serves as a versatile diester building block for the synthesis of complex heterocyclic systems and polyfunctional scaffolds. Its ortho-quinone methide precursor functionality enables controlled Diels-Alder cycloadditions and tandem cyclizations under mild conditions. The molecule exhibits excellent bench stability, facilitates straightforward purification via crystallization, and demonstrates broad compatibility with common functional groups in multistep synthetic sequences.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   139.34
  • LogP   1.3216
  • H_Acceptors   10
  • H_Donors   0
  • Rotatable_Bonds   5

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