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CS-W001157 4
Total: USD 88.00

1,3-Dimethoxy-5-fluorobenzene

  • CAS No. 52189-63-6

  • Cat. No. CS-W000054
  • Purity≥95%
  • MDL No.MFCD00012445

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

1,3-Dimethoxy-5-fluorobenzene|CS-W000054

Structure of 52189-63-6

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General Information

  • CAS No. 52189-63-6
  • Cat. No. CS-W000054
  • Purity ≥95%
  • MDL No. MFCD00012445
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉FO₂
  • Molecular Weight 156.15
  • Synonym(s) 1-Fluoro-3,5-dimethoxybenzene
  • SMILES COc1cc(F)cc(OC)c1

Description

1,3-Dimethoxy-5-fluorobenzene features a fluorinated aromatic core with two methoxy groups positioned ortho to the fluorine, creating a highly electron-rich yet sterically balanced platform. This configuration enhances reactivity in cross-coupling reactions while maintaining stability under standard conditions. The compound serves as a valuable building block for synthesizing functionalized arenes in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • ANACOR PHARMACEUTICALS, INC.; GLAXOSMITHKINE LLC; XIA, Yi; ALLEY, Michael, Richard Kevin; ZHOU, Yasheen; SINGH, Rajeshwar; DING, Charles; CAO, Kathy; PLATTNER, Jacob, J.; OU, Ligong; JIA, Guofeng; SARASWAT, Neerja; RAMACHANDRAN, Sreekanth; ZHOU, Ding Patent: WO2011/17125 A1, 2011 ; Location in patent: Page/Page column 109 ;
  • Route2

    References

    • Anbarasan, Pazhamalai; Neumann, Helfried; Beller, Matthias Angewandte Chemie - International Edition, 2010 , vol. 49, # 12 p. 2219 - 2222
  • Route3
    • Ethyl 3,5-dimethoxybenzoate|CS-0324198
      17275-82-0
    • ~%
    • In-stock
      1,3-Dimethoxy-5-fluorobenzene|CS-W000054
      52189-63-6

    References

    • Durrani, Aziz A.; Tyman, John H. P. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 1658 - 1666

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   1.8429
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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