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CS-W001157 4
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2-(Benzoyloxy)-1H-isoindole-1,3(2H)-dione

  • CAS No. 58585-84-5

  • Cat. No. CS-0652827
  • Molecule weight267.24
  • Purity≥98%
  • MDL No.None

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

2-(Benzoyloxy)-1H-isoindole-1,3(2H)-dione|CS-0652827

Structure of 58585-84-5

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General Information

  • CAS No. 58585-84-5
  • Cat. No. CS-0652827
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₉NO₄
  • Molecular Weight 267.24
  • Synonym(s) None
  • SMILES O=C1N(OC(C2=CC=CC=C2)=O)C(C3=C1C=CC=C3)=O

Description

This boronate moiety integrates seamlessly into cross-coupling workflows, offering enhanced stability under standard conditions. The para-nitro group enables efficient functionalization, while the electron-deficient core facilitates selective transformations in complex synthetic sequences.

Application

2-(Benzoyloxy)-1H-isoindole-1,3(2H)-dione serves as a stable, bench-ready building block for the synthesis of isoindoline-based heterocycles. Its ortho-ester functionality enables selective acyl transfer and facilitates downstream transformations in medicinal chemistry workflows. The molecule exhibits good functional group tolerance and is compatible with standard coupling and cyclization protocols, making it a practical reagent for scaffold diversification in API development.

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-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   2.0546
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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