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CS-W001157 4
Total: USD 88.00

1-Bromo-3-fluoro-5-methoxybenzene

  • CAS No. 29578-39-0

  • Cat. No. CS-W013180
  • Purity≥95%
  • MDL No.MFCD01861129

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

1-Bromo-3-fluoro-5-methoxybenzene|CS-W013180

Structure of 29578-39-0

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General Information

  • CAS No. 29578-39-0
  • Cat. No. CS-W013180
  • Purity ≥95%
  • MDL No. MFCD01861129
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrFO
  • Molecular Weight 205.03
  • Synonym(s) 3-fluoro-5-bromoanisole
  • SMILES COC1=CC(F)=CC(Br)=C1

Description

1-Bromo-3-fluoro-5-methoxybenzene features a trifunctional aromatic core with distinct halogen and oxygenated substituents. The bromo group enables palladium-catalyzed cross-coupling, while the fluoro moiety offers orthogonal reactivity. The methoxy group enhances solubility and modulates electronic properties. This compound serves as a key intermediate in pharmaceutical synthesis.

Application

1-Bromo-3-fluoro-5-methoxybenzene serves as a versatile aryl building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds in medicinal chemistry and materials science. The ortho-difunctionalized motif offers predictable regiochemistry, while the methoxy group enhances solubility and modulates electronic properties. Bench-stable and compatible with standard reaction conditions, it facilitates streamlined synthesis of complex aromatic architectures.

Synthesis

  • Route1
    • null|null
      461-96-1
    • null|null
      124-41-4
    • ~71%
    • In-stock
      1-Bromo-3-fluoro-5-methoxybenzene|CS-W013180
      29578-39-0

    References

    • FAY, Lorraine Kathleen; Johnson, Douglas S.; Kesten, Suzanne Ross; Lazerwith, Scott E.; Morris, Mark Anthony; Stiff, Cory Michael; Meyers, Marvin Jay; Wang, Lijuan Jane Patent: US2008/261941 A1, 2008 ; Location in patent: Page/Page column 43 ;
  • Route2

    References

    • US3671636 , ; Chem.Abstr., , vol. 77, # 88083

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.5968
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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