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CS-W001157 4
Total: USD 88.00

Ethyl 2-cyano-3-(4-fluorophenyl)acrylate

  • CAS No. 18861-57-9

  • Cat. No. CS-0521233
  • Molecule weight219.21
  • Purity≥98%
  • MDL No.MFCD00176412

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

Ethyl 2-cyano-3-(4-fluorophenyl)acrylate|CS-0521233

Structure of 18861-57-9

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General Information

  • CAS No. 18861-57-9
  • Cat. No. CS-0521233
  • Purity ≥98%
  • MDL No. MFCD00176412
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀FNO₂
  • Molecular Weight 219.21
  • Synonym(s) Ethyl α-cyano-4-fluorocinnamate
  • SMILES O=C(OCC)C(C#N)=CC1=CC=C(F)C=C1

Synthesis

  • Route1
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • null|null
      105-56-6
    • ~97%
    • Ethyl 2-cyano-3-(4-fluorophenyl)acrylate|CS-0521233
      18861-57-9

    References

    • Trilla, Montserrat; Pleixats, Roser; Man, Michel Wong Chi; Bied, Catherine Green Chemistry, 2009 , vol. 11, # 11 p. 1815 - 1820
  • Route2
    • null|null
      1187-46-8
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~91%
    • Ethyl 2-cyano-3-(4-fluorophenyl)acrylate|CS-0521233
      18861-57-9

    References

    • Shen, Yanchang; Yang, Baozhen Synthetic Communications, 1989 , vol. 19, # 17 p. 3069 - 3076
  • Route3
    • null|null
      110-89-4
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • null|null
      105-56-6
    • ~0%
    • null|null
      1044857-36-4
    • Ethyl 2-cyano-3-(4-fluorophenyl)acrylate|CS-0521233
      18861-57-9

    References

    • Xu, Hui; Yu, Xinhong; Sun, Leying; Liu, Jing; Fan, Wen; Shen, Yongjia; Wang, Wei Tetrahedron Letters, 2008 , vol. 49, # 32 p. 4687 - 4689

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.29578
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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