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CS-W001157 4
Total: USD 88.00

1-Fluoro-3-methoxybenzene

  • CAS No. 456-49-5

  • Cat. No. CS-W013500
  • Purity≥98%
  • MDL No.MFCD00000335

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

1-Fluoro-3-methoxybenzene|CS-W013500

Structure of 456-49-5

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General Information

  • CAS No. 456-49-5
  • Cat. No. CS-W013500
  • Purity ≥98%
  • MDL No. MFCD00000335
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO
  • Molecular Weight 126.13
  • Synonym(s) M-FLUORO METHOXYBENZENE
  • SMILES COC1=CC(F)=CC=C1

Description

3-Fluoroanisole was used in the synthesis of 4-fluoro-5,6-dihydroxytryptamine. It was also used in the synthesis of 3-fluoro- and 5-fluoronoradrenaline.

Application

1-Fluoro-3-methoxybenzene serves as a versatile aryl building block in medicinal chemistry and materials science, enabling efficient Suzuki-Miyaura and Buchwald-Hartwig couplings. Its ortho-fluorinated structure facilitates selective functionalization, while the methoxy group provides electronic modulation and enhanced solubility. Bench-stable and readily purified, it functions reliably in multi-step syntheses of heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Fluorophenol|CS-W020028
      372-20-3
    • ~83%
    • In-stock
      1-Fluoro-3-methoxybenzene|CS-W013500
      456-49-5

    References

    • Kumazawa, Keiko; Ishihara, Kazuaki; Yamamoto, Hisashi Organic Letters, 2004 , vol. 6, # 15 p. 2551 - 2554
  • Route2
    • null|null
      67-56-1
    • null|null
      372-18-9
    • ~81%
    • In-stock
      1-Fluoro-3-methoxybenzene|CS-W013500
      456-49-5

    References

    • Kim, Aujin; Powers, Jeremiah D.; Toczko, Jennifer F. Journal of Organic Chemistry, 2006 , vol. 71, # 5 p. 2170 - 2172
  • Route3
    • null|null
      2398-37-0
    • ~82%
    • In-stock
      1-Fluoro-3-methoxybenzene|CS-W013500
      456-49-5
    • null|null
      100-66-3

    References

    • Nagaki, Aiichiro; Uesugi, Yuki; Kim, Heejin; Yoshida, Jun-Ichi Chemistry - An Asian Journal, 2013 , vol. 8, # 4 p. 705 - 708

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   1.8343
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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