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7-Aminoisoindolin-1-one

  • CAS No. 169044-98-8

  • Cat. No. CS-0050115
  • Purity≥98%
  • MDL No.None

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

7-Aminoisoindolin-1-one|CS-0050115

Structure of 169044-98-8

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General Information

  • CAS No. 169044-98-8
  • Cat. No. CS-0050115
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) 7-Aminoisoindolinone
  • SMILES NC1=C2C(=O)NCC2=CC=C1

Description

7-Aminoisoindolin-1-one features a nitrogen-rich heterocyclic core with enhanced electron density at the 7-position, enabling direct functionalization in cross-coupling and cyclization reactions. This bench-stable scaffold integrates readily into bioactive molecule architectures, offering high reactivity and compatibility with diverse synthetic workflows.

Application

7-Aminoisoindolin-1-one serves as a versatile building block in medicinal chemistry, enabling direct access to isoindolinone-based scaffolds prevalent in bioactive molecules. Its amino group facilitates straightforward functionalization via acylation, alkylation, and coupling reactions, while the lactam core offers robust stability and compatibility with standard synthetic protocols. The compound exhibits excellent bench stability and is readily purified by recrystallization or chromatography, making it ideal for high-throughput screening and process development.

Synthesis

  • Route1
    • 7-Nitroisoindolin-1-one|CS-0043569
      169044-97-7
    • ~92%
    • In-stock
      7-Aminoisoindolin-1-one|CS-0050115
      169044-98-8

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2006/21544 A1, 2006 ; Location in patent: Page/Page column 26 ; WO 2006/021544 A1

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.5122
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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