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CS-W001157 4
Total: USD 88.00

1-Bromodibenzo[b,d]furan

  • CAS No. 50548-45-3

  • Cat. No. CS-D0502
  • Purity≥98%
  • MDL No.MFCD00094238

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

1-Bromodibenzo[b,d]furan|CS-D0502

Structure of 50548-45-3

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General Information

  • CAS No. 50548-45-3
  • Cat. No. CS-D0502
  • Purity ≥98%
  • MDL No. MFCD00094238
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₇BrO
  • Molecular Weight 247.09
  • Synonym(s) 1-Bromodibenzofuran
  • SMILES BrC1=C2C(OC3=CC=CC=C23)=CC=C1

Description

1-Bromodibenzo[b,d]furan is a bench-stable, electron-deficient heterocycle featuring a bromine substituent at the 1-position. This configuration enables direct functionalization in cross-coupling reactions, facilitating the synthesis of extended π-conjugated systems for organic electronics and materials science applications.

Application

1-Bromodibenzo[b,d]furan serves as a versatile building block in the synthesis of polycyclic aromatic scaffolds and bioactive heterocycles. Its bromine substituent enables efficient Suzuki-Miyaura and Stille coupling reactions, facilitating the construction of complex conjugated systems under mild conditions. The molecule exhibits excellent bench stability and is compatible with a range of functional groups, making it ideal for iterative cross-coupling strategies in medicinal chemistry and materials science applications.

Synthesis

  • Route1
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    • In-stock
      1-Bromodibenzo[b,d]furan|CS-D0502
      50548-45-3

    References

    • Gilman et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 5783,5784
  • Route2

    References

    • Gilman; Van Ess Journal of the American Chemical Society, 1939 , vol. 61, p. 1365,1369
  • Route3

    References

    • Gilman et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 5783,5784

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   13.14
  • LogP   4.3485
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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