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CS-W001157 4
Total: USD 88.00

5,6-Dimethoxy-3H-2-benzofuran-1-one

  • CAS No. 531-88-4

  • Cat. No. CS-0061921
  • Purity≥96%
  • MDL No.MFCD00086313

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

5,6-Dimethoxy-3H-2-benzofuran-1-one|CS-0061921

Structure of 531-88-4

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General Information

  • CAS No. 531-88-4
  • Cat. No. CS-0061921
  • Purity ≥96%
  • MDL No. MFCD00086313
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight None
  • Synonym(s) 5,6-Dimethoxy-3H-isobenzofuran-1-one
  • SMILES COC1=C(C=C2C(=C1)COC2=O)OC

Description

5,6-Dimethoxy-3H-2-benzofuran-1-one features a fused benzofuran core with two methoxy groups at the 5 and 6 positions, enhancing electron density and solubility. This stable scaffold serves as a key building block in medicinal chemistry, enabling direct incorporation into bioactive molecules through electrophilic substitution or coupling reactions under standard conditions.

Application

5,6-Dimethoxy-3H-2-benzofuran-1-one serves as a versatile building block in medicinal chemistry and synthetic organic research, enabling efficient access to substituted benzofuran scaffolds. Its stability under standard reaction conditions, combined with orthogonal reactivity of the methoxy groups and ketone functionality, facilitates selective derivatization. The compound functions effectively in transition-metal-catalyzed couplings and electrophilic transformations, supporting scalable synthesis of bioactive heterocycles and API intermediates.

Synthesis

  • Route1

    References

    • Ameur Meziane, Mohamed Ait; Royer, Sylvain; Bazureau, Jean Pierre Tetrahedron Letters, 2001 , vol. 42, # 6 p. 1017 - 1020
  • Route2

    References

    • Wu, Xiongyu; Mahalingam; Wan, Yiqian; Alterman, Mathias Tetrahedron Letters, 2004 , vol. 45, # 24 p. 4635 - 4638
  • Route3
    • 3-Hydroxy-5,6-dimethoxyisobenzofuran-1(3H)-one|CS-0253856
      77619-89-7
    • ~93%
    • In-stock
      5,6-Dimethoxy-3H-2-benzofuran-1-one|CS-0061921
      531-88-4

    References

    • Sinhababu, Achintya K.; Borchardt, Ronald T. Journal of Organic Chemistry, 1983 , vol. 48, # 14 p. 2356 - 2360

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   44.76
  • LogP   1.3742
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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