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CS-W001157 4
Total: USD 88.00

5,6-Dimethoxyisobenzofuran-1,3-dione

  • CAS No. 4821-94-7

  • Cat. No. CS-0187969
  • Purity≥97%
  • MDL No.None

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

5,6-Dimethoxyisobenzofuran-1,3-dione|CS-0187969

Structure of 4821-94-7

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General Information

  • CAS No. 4821-94-7
  • Cat. No. CS-0187969
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₅
  • Molecular Weight 208.17
  • Synonym(s) 5,6-DIMETHOXYISOBENZOFURAN-1,3-DIONE 1G
  • SMILES COC1=C(C=C2C(=C1)C(=O)OC2=O)OC

Description

5,6-Dimethoxyisobenzofuran-1,3-dione features two methoxy groups that enhance solubility and stability in polar solvents. This electron-deficient dienophile integrates readily into Diels–Alder reactions, delivering functionalized adducts with high regiocontrol. The fused ring system resists decomposition under standard bench conditions, enabling reliable use in synthetic sequences.

Application

5,6-Dimethoxyisobenzofuran-1,3-dione serves as a versatile dienophile in Diels-Alder reactions and functions as a building block for oxygenated heterocyclic scaffolds. Its electron-deficient aromatic core enables reliable cycloaddition with dienes under mild conditions, offering high regioselectivity and facile purification due to crystalline solid formation. The dimethoxy substituents enhance solubility and stability, supporting bench-scale synthesis and integration into complex molecular architectures.

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   61.83
  • LogP   1.0144
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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