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CS-W001157 4
Total: USD 88.00

Isoindolinone

  • CAS No. 480-91-1

  • Cat. No. CS-W004767
  • Purity≥96%
  • MDL No.MFCD03085939

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

Isoindolinone|CS-W004767

Structure of 480-91-1

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General Information

  • CAS No. 480-91-1
  • Cat. No. CS-W004767
  • Purity ≥96%
  • MDL No. MFCD03085939
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) None
  • SMILES O=C1NCC2=C1C=CC=C2

Description

Isoindolinone serves as a privileged scaffold in medicinal chemistry, featuring a fused bicyclic core that imparts metabolic stability and favorable binding interactions. This heterocycle integrates readily into bioactive molecules, enabling efficient access to compounds with enhanced solubility and target affinity.

Application

Isoindolinone serves as a privileged scaffold in medicinal chemistry, enabling efficient construction of bioactive heterocycles. Its inherent stability and compatibility with diverse functional groups facilitate downstream derivatization via amine alkylation, palladium-catalyzed cross-coupling, and hydrogenation. The core structure functions as a key building block in the synthesis of kinase inhibitors and CNS-targeted compounds, offering robust reactivity under standard bench conditions.

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79836 A2, 2008 ; Location in patent: Page/Page column 86 ; WO 2008/079836 A2
  • Route2
    • null|null
      61864-62-8
    • ~99%
    • In-stock
      Isoindolinone|CS-W004767
      480-91-1

    References

    • Lopez-Valdez, German; Olguin-Uribe, Simon; Millan-Ortiz, Alejandra; Gamez-Montano, Rocio; Miranda, Luis D. Tetrahedron, 2011 , vol. 67, # 14 p. 2693 - 2701
  • Route3
    • Phthalaldehydic acid Butylphthalide  Impurity|CS-0228924
      119-67-5
    • ~71%
    • In-stock
      Isoindolinone|CS-W004767
      480-91-1

    References

    • Shi, Linyan; Hu, Lei; Wang, Jiaqing; Cao, Xueqin; Gu, Hongwei Organic Letters, 2012 , vol. 14, # 7 p. 1876 - 1879

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   29.1
  • LogP   0.93
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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