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CS-W001157 4
Total: USD 88.00

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate

  • CAS No. 363-58-6

  • Cat. No. CS-0121293
  • Purity≥95%
  • MDL No.MFCD00041540

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

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate|CS-0121293

Structure of 363-58-6

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General Information

  • CAS No. 363-58-6
  • Cat. No. CS-0121293
  • Purity ≥95%
  • MDL No. MFCD00041540
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆ClF₃O₃
  • Molecular Weight 218.56
  • Synonym(s) ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate
  • SMILES O=C(C(F)(F)F)C(Cl)C(OCC)=O

Description

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate features a trifluoromethyl group flanked by a chlorinated alpha carbon, enabling robust enolization and facilitating nucleophilic substitution reactions. This electron-deficient acetoacetate ester integrates efficiently into heterocyclic syntheses and serves as a key building block in fluorinated pharmaceutical intermediates.

Synthesis

  • Route1
    • null|null
      372-31-6
    • ~95%
    • In-stock
      Ethyl 2-chloro-4,4,4-trifluoroacetoacetate|CS-0121293
      363-58-6

    References

    • Dow AgroSciences LLC Patent: US6372769 B1, 2002 ; Location in patent: Page column 4 ;
  • Route2
    • null|null
      1522-43-6
    • ~75%
    • In-stock
      Ethyl 2-chloro-4,4,4-trifluoroacetoacetate|CS-0121293
      363-58-6

    References

    • Sevenard, Dmitri V.; Vorobyev, Mikhail; Sosnovskikh, Vyacheslav Ya.; Wessel, Helma; Kazakova, Olesya; Vogel, Vera; Shevchenko, Nikolay E.; Nenajdenko, Valentine G.; Lork, Enno; Roeschenthaler, Gerd-Volker Tetrahedron, 2009 , vol. 65, # 36 p. 7538 - 7552
  • Route3
    • null|null
      1522-43-6
    • ~%
    • In-stock
      Ethyl 2-chloro-4,4,4-trifluoroacetoacetate|CS-0121293
      363-58-6
    • null|null
      196698-26-7

    References

    • Tetrahedron, , vol. 65, # 36 p. 7538 - 7552

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P280-P301+P330+P331-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.2883
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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