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CS-W001157 4
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5-Methoxyisoindolin-1-one

  • CAS No. 22246-66-8

  • Cat. No. CS-W006552
  • Purity≥97%
  • MDL No.MFCD08437636

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

5-Methoxyisoindolin-1-one|CS-W006552

Structure of 22246-66-8

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General Information

  • CAS No. 22246-66-8
  • Cat. No. CS-W006552
  • Purity ≥97%
  • MDL No. MFCD08437636
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) None
  • SMILES COC1=CC=C2C(CNC2=O)=C1

Description

5-Methoxyisoindolin-1-one delivers a rigid, electron-rich heterocyclic scaffold ideal for medicinal chemistry applications. The methoxy group enhances solubility and modulates electronic properties, while the lactam functionality provides a stable platform for derivatization. This compound serves as a key building block in the synthesis of bioactive molecules.

Application

5-Methoxyisoindolin-1-one serves as a versatile scaffold in medicinal chemistry, enabling efficient access to biologically relevant heterocycles. Its bench-stable structure features orthogonal reactivity, facilitating selective functionalization at the C5 position and compatibility with standard coupling protocols. The methoxy group enhances solubility and modulates electronic properties, supporting downstream transformations in API development workflows.

Synthesis

  • Route1

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/20306 A2, 2008 ; Location in patent: Page/Page column 26; 27-28 ;
  • Route2
    • null|null
      286434-74-0
    • ~43%
    • In-stock
      5-Methoxyisoindolin-1-one|CS-W006552
      22246-66-8

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/14856 A1, 2004 ; Location in patent: Page 10; 23 ;
  • Route3

    References

    • Hennige, Hans; Kreher, Richard P.; Konrad, Michael; Jelitto, Frank Chemische Berichte, 1988 , vol. 121, p. 243 - 252

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

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.9386
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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