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CS-W001157 4
Total: USD 88.00

Ethyl 4-fluorobenzoate

  • CAS No. 451-46-7

  • Cat. No. CS-W017810
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00000351

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

Ethyl 4-fluorobenzoate|CS-W017810

Structure of 451-46-7

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General Information

  • CAS No. 451-46-7
  • Cat. No. CS-W017810
  • Purity ≥98%
  • MDL No. MFCD00000351
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight None
  • Synonym(s) Benzoic acid, 4-fluoro-, ethyl ester
  • SMILES C1=CC(=CC=C1C(OCC)=O)F

Description

Ethyl 4-fluorobenzoate is a clear colorless liquid. The purified [18F]fluoride is used for solution phase nucleophilic labeling of ethyl [18F]4-fluorobenzoate. Ethyl 4-fluorobenzoate causes N-arylation of 5-methoxyindole in presence of 18-crown-6 by using microwave-assisted technology.Ethyl 4-fluorobenzoate may be used in the synthesis of 4,4-(1,4-piperazinediyl) bisbenzoic acid ethyl ester.

Synthesis

  • Route1
    • Ethyl 4-(tributylstannyl)benzoate|CS-0876530
      294210-67-6
    • ~87%
    • In-stock
      Ethyl 4-fluorobenzoate|CS-W017810
      451-46-7

    References

    • Tang, Pingping; Furuya, Takeru; Ritter, Tobias Journal of the American Chemical Society, 2010 , vol. 132, # 34 p. 12150 - 12154
  • Route2
    • Ethyl-4-(Triethoxysilyl)benzoate|CS-0738774
      197662-64-9
    • ~83%
    • In-stock
      Ethyl 4-fluorobenzoate|CS-W017810
      451-46-7

    References

    • Tang, Pingping; Ritter, Tobias Tetrahedron, 2011 , vol. 67, # 24 p. 4449 - 4454
  • Route3
    • null|null
      64-17-5
    • In-stock
      4-Iodofluorobenzene|CS-D1411
      352-34-1
    • null|null
      201230-82-2
    • ~95%
    • In-stock
      Ethyl 4-fluorobenzoate|CS-W017810
      451-46-7

    References

    • Salvadori, Jessica; Balducci, Evita; Zaza, Silvia; Petricci, Elena; Taddei, Maurizio Journal of Organic Chemistry, 2010 , vol. 75, # 6 p. 1841 - 1847

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0024
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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