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CS-W001157 4
Total: USD 88.00

5-Phenoxyisobenzofuran-1(3H)-one

  • CAS No. 57830-14-5

  • Cat. No. CS-0156084
  • Purity≥95%
  • MDL No.MFCD14582822

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

5-Phenoxyisobenzofuran-1(3H)-one|CS-0156084

Structure of 57830-14-5

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General Information

  • CAS No. 57830-14-5
  • Cat. No. CS-0156084
  • Purity ≥95%
  • MDL No. MFCD14582822
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀O₃
  • Molecular Weight 226.23
  • Synonym(s) 5-phenoxyisobenzofuran -1(3H)-one
  • SMILES C1=CC=C(C=C1)OC2=CC=C3C(=C2)COC3=O

Description

5-Phenoxyisobenzofuran-1(3H)-one features a rigid, electron-deficient isobenzofuran core fused to a phenoxy substituent, delivering enhanced stability and predictable reactivity in transition metal-catalyzed coupling processes. This scaffold serves as a robust building block for complex heterocyclic architectures in medicinal chemistry and materials science applications.

Application

5-Phenoxyisobenzofuran-1(3H)-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted isobenzofuran scaffolds. Its phenoxy-substituted core exhibits robust bench stability and facilitates orthogonal functionalization, particularly in palladium-catalyzed coupling reactions. The compound functions effectively in the construction of bioactive heterocycles and offers predictable reactivity in standard synthetic workflows, supporting scalable derivatization for pharmaceutical and agrochemical applications.

Synthesis

  • Route1
    • In-stock
      5-Bromophthalide|CS-W007667
      64169-34-2
    • null|null
      108-95-2
    • ~%
    • In-stock
      5-Phenoxyisobenzofuran-1(3H)-one|CS-0156084
      57830-14-5

    References

    • FIBROGEN, INC.; HO, Wen-Bin; ZHAO, Hongda; DENG, Shaojiang; NG, Danny; WRIGHT, Lee R.; WU, Min; ZHOU, Xiaoti; AREND, Michael P.; FLIPPIN, Lee A. Patent: WO2013/134660 A1, 2013 ; Location in patent: Paragraph 0166 ;

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   35.53
  • LogP   3.1493
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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