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CS-W001157 4
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1,3-Difluoro-5-methoxybenzene

  • CAS No. 93343-10-3

  • Cat. No. CS-W016404
  • Purity≥98%
  • MDL No.MFCD00042560

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

1,3-Difluoro-5-methoxybenzene|CS-W016404

Structure of 93343-10-3

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General Information

  • CAS No. 93343-10-3
  • Cat. No. CS-W016404
  • Purity ≥98%
  • MDL No. MFCD00042560
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₂O
  • Molecular Weight 144.12
  • Synonym(s) 3,5-Difluoroanisole
  • SMILES COC1=CC(F)=CC(F)=C1

Description

1,3-Difluoro-5-methoxybenzene features a strategically positioned electron-rich methoxy group flanked by two fluorine substituents, delivering enhanced stability and tunable reactivity. This combination enables efficient coupling in cross-coupling processes and facilitates selective functionalization under standard conditions.

Application

1,3-Difluoro-5-methoxybenzene serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard cross-coupling and electrophilic substitution reactions. Its ortho-fluorine substituents facilitate directed metallation, while the methoxy group offers moderate electron donation and compatibility with diverse functional groups. The compound exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthetic workflows in API development and lead optimization.

Synthesis

  • Route1
    • In-stock
      3,5-Difluorophenol|CS-D1731
      2713-34-0
    • null|null
      74-88-4
    • ~97%
    • In-stock
      1,3-Difluoro-5-methoxybenzene|CS-W016404
      93343-10-3

    References

    • Alonso-Alija, Cristina; Michels, Martin; Peilstoecker, Karen; Schirok, Hartmut Tetrahedron Letters, 2004 , vol. 45, # 1 p. 95 - 98
  • Route2

    References

    • Sun, Zhong-Ming; Zhang, Jing; Zhao, Pinjing Organic Letters, 2010 , vol. 12, # 5 p. 992 - 995
  • Route3
    • null|null
      372-38-3
    • null|null
      865-33-8
    • ~%
    • In-stock
      1,3-Difluoro-5-methoxybenzene|CS-W016404
      93343-10-3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 20, # 5 p. 960 - 967 Zhurnal Organicheskoi Khimii, , vol. 20, # 5 p. 1055 - 1063

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅲ
Hazard Statements : H226-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   1.9734
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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