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Ethyl 2-(4-fluorophenyl)-2-oxoacetate

  • CAS No. 1813-94-1

  • Cat. No. CS-0134494
  • Purity≥95%
  • MDL No.MFCD01319617

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

Ethyl 2-(4-fluorophenyl)-2-oxoacetate|CS-0134494

Structure of 1813-94-1

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General Information

  • CAS No. 1813-94-1
  • Cat. No. CS-0134494
  • Purity ≥95%
  • MDL No. MFCD01319617
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₃
  • Molecular Weight 196.18
  • Synonym(s) Ethyl 4-Fluorophenylglyoxylate
  • SMILES FC1=CC=C(C(C(OCC)=O)=O)C=C1

Synthesis

  • Route1
    • null|null
      95-92-1
    • null|null
      352-13-6
    • ~84%
    • In-stock
      Ethyl 2-(4-fluorophenyl)-2-oxoacetate|CS-0134494
      1813-94-1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2008/89052 A2, 2008 ; Location in patent: Page/Page column 34 ; WO 2008/089052 A2
  • Route2

    References

    • Shimizu, Hiroshi; Murakami, Masahiro Chemical Communications, 2007 , # 27 p. 2855 - 2857
  • Route3
    • null|null
      462-06-6
    • null|null
      4755-77-5
    • ~73%
    • In-stock
      Ethyl 2-(4-fluorophenyl)-2-oxoacetate|CS-0134494
      1813-94-1

    References

    • Poon, Jia-Fei; Alao, John Patrick; Sunnerhagen, Per; Diner, Peter Organic and Biomolecular Chemistry, 2013 , vol. 11, # 27 p. 4526 - 4536

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.5715
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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