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CS-W001157 4
Total: USD 88.00

5-Aminoisobenzofuran-1,3-dione

  • CAS No. 17011-53-9

  • Cat. No. CS-0370543
  • Molecule weight163.13
  • Purity≥97%
  • MDL No.None

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

5-Aminoisobenzofuran-1,3-dione|CS-0370543

Structure of 17011-53-9

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General Information

  • CAS No. 17011-53-9
  • Cat. No. CS-0370543
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₃
  • Molecular Weight 163.13
  • Synonym(s) 5-Amino-2-benzofuran-1,3-dione
  • SMILES O=C1OC(C2=C1C=CC(N)=C2)=O

Description

5-Aminoisobenzofuran-1,3-dione features a fused bicyclic core with dual carbonyl groups and a strategically positioned amino substituent. This electron-rich scaffold enables direct incorporation into conjugated systems, serving as a key building block for fluorescent probes and functional materials. The amine group enhances solubility and facilitates derivatization under mild conditions.

Application

5-Aminoisobenzofuran-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling the construction of complex heterocyclic systems through its dual functionality. The ortho-quinone imide moiety facilitates efficient Diels-Alder reactions and acts as a masked dienophile, while the primary amine supports direct functionalization or derivatization. Its bench-stable crystalline form and compatibility with common protecting group strategies make it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H334-H335
Precautionary Statements : P261-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.39
  • LogP   0.5794
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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