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CS-W001157 4
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Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

  • CAS No. 96568-04-6

  • Cat. No. CS-0059185
  • Purity≥97%
  • MDL No.MFCD00799535

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

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate|CS-0059185

Structure of 96568-04-6

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General Information

  • CAS No. 96568-04-6
  • Cat. No. CS-0059185
  • Purity ≥97%
  • MDL No. MFCD00799535
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈Cl₂FNO₃
  • Molecular Weight 280.08
  • Synonym(s) Nicotinylacetate
  • SMILES O=C(OCC)CC(C1=CC(F)=C(Cl)N=C1Cl)=O

Description

Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate features a fluorinated pyridine core with orthogonal electron-withdrawing substituents that enhance reactivity in cross-coupling and cyclization processes. The ester-enone motif enables direct functionalization at the β-position, while the dichloro-fluoro pattern imparts metabolic stability and favorable lipophilicity for medicinal chemistry applications.

Synthesis

  • Route1
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      96568-03-5
    • ~%
    • In-stock
      Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate|CS-0059185
      96568-04-6

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 38, # 12 p. 3211 - 3217
  • Route2

    References

    • LG LIFE SCIENCES LTD. Patent: WO2007/64077 A1, 2007 ; Location in patent: Page/Page column 7 ;
  • Route3
    • In-stock
      3-Ethoxy-3-oxopropanoic acid|CS-0016016
      1071-46-1
    • null|null
      96568-02-4
    • ~%
    • In-stock
      Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate|CS-0059185
      96568-04-6

    References

    • Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.26
  • LogP   2.6634
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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