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CS-W001157 4
Total: USD 88.00

3,5-Dimethylfluorobenzene

  • CAS No. 461-97-2

  • Cat. No. CS-W011182
  • Purity≥98%
  • MDL No.None

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

3,5-Dimethylfluorobenzene|CS-W011182

Structure of 461-97-2

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General Information

  • CAS No. 461-97-2
  • Cat. No. CS-W011182
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉F
  • Molecular Weight 124.16
  • Synonym(s) 5-Fluoro-m-xylene
  • SMILES CC1=CC(C)=CC(F)=C1

Description

3,5-Dimethylfluorobenzene features a fluorine atom flanked by two methyl groups at the 3- and 5-positions, creating a sterically hindered, electron-rich aromatic core. This configuration enhances stability and facilitates selective electrophilic substitution. The compound serves as a valuable scaffold in medicinal chemistry and agrochemical synthesis, offering predictable reactivity and improved metabolic resistance.

Application

3,5-Dimethylfluorobenzene serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering enhanced metabolic stability and lipophilicity due to its ortho-alkylated aryl fluoride motif. The molecule exhibits excellent bench stability, facilitates efficient Suzuki-Miyaura coupling reactions, and functions as a versatile scaffold for constructing complex heterocyclic systems through standard electrophilic substitution or transition-metal-catalyzed transformations.

Synthesis

  • Route1
    • null|null
      108-69-0
    • ~89%
    • In-stock
      3,5-Dimethylfluorobenzene|CS-W011182
      461-97-2

    References

    • Yu, Zhi-Qun; Lv, Yan-Wen; Yu, Chuan-Ming; Su, Wei-Ke Tetrahedron Letters, 2013 , vol. 54, # 10 p. 1261 - 1263
  • Route2

    References

    • Furuya, Takeru; Ritter, Toblas Organic Letters, 2009 , vol. 11, # 13 p. 2860 - 2863
  • Route3

    References

    • Fier, Patrick S.; Hartwig, John F. Journal of the American Chemical Society, 2012 , vol. 134, # 26 p. 10795 - 10798

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.44254
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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