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1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl benzenebutanoate

  • CAS No. 1841512-58-0

  • Cat. No. CS-0652831
  • Molecule weight309.32
  • Purity≥98%
  • MDL No.None

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

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl benzenebutanoate|CS-0652831

Structure of 1841512-58-0

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General Information

  • CAS No. 1841512-58-0
  • Cat. No. CS-0652831
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₅NO₄
  • Molecular Weight 309.32
  • Synonym(s) None
  • SMILES O=C(ON(C(C1=C2C=CC=C1)=O)C2=O)CCCC3=CC=CC=C3

Description

This isoindole-based ester integrates a benzenebutanoate moiety for enhanced solubility and stability under standard conditions. The 1,3-dioxo-2H-isoindol-2-yl scaffold provides a rigid, electron-deficient core ideal for conjugation reactions in synthetic organic chemistry.

Application

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl benzenebutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of complex heterocyclic scaffolds. Its isoindoline core exhibits robust bench stability and tolerates a range of functional groups, facilitating downstream transformations. The molecule functions effectively in coupling reactions and acts as a key intermediate in the synthesis of bioactive compounds, particularly those requiring fused polycyclic frameworks.

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   2.7637
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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