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CS-W001157 4
Total: USD 88.00

7-Iodoisobenzofuran-1(3H)-one

  • CAS No. 105694-46-0

  • Cat. No. CS-0160504
  • Purity≥96%
  • MDL No.MFCD18204743

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

7-Iodoisobenzofuran-1(3H)-one|CS-0160504

Structure of 105694-46-0

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General Information

  • CAS No. 105694-46-0
  • Cat. No. CS-0160504
  • Purity ≥96%
  • MDL No. MFCD18204743
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IO₂
  • Molecular Weight 260.03
  • Synonym(s) 7-Jod-phthalid
  • SMILES O=C1OCC2=C1C(I)=CC=C2

Description

7-Iodoisobenzofuran-1(3H)-one features a reactive iodine substituent at the 7-position of a fused isobenzofuranone scaffold, enabling direct functionalization in transition-metal-catalyzed coupling reactions. The electron-deficient heterocyclic core supports efficient C–I bond activation, while the lactone functionality enhances solubility and stability under standard bench conditions.

Application

7-Iodoisobenzofuran-1(3H)-one serves as a versatile building block for the construction of biologically relevant heterocyclic scaffolds. Its iodine substituent enables facile cross-coupling reactions, while the isobenzofuranone core provides structural rigidity and potential for downstream functionalization. The compound exhibits good bench stability and facilitates efficient access to complex molecular architectures in medicinal chemistry and materials science applications.

Synthesis

  • Route1
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      28418-88-4
    • ~%
    • 4-Iodoisobenzofuran-1(3H)-one|CS-1268720
      105694-45-9
    • In-stock
      7-Iodoisobenzofuran-1(3H)-one|CS-0160504
      105694-46-0

    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134
  • Route2

    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134
  • Route3

    References

    • Soucy, C.; Favreau, D.; Kayser, M. M. Journal of Organic Chemistry, 1987 , vol. 52, # 1 p. 129 - 134

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   26.3
  • LogP   1.9616
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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