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CS-W001157 4
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Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate

  • CAS No. 112811-68-4

  • Cat. No. CS-0076017
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate|CS-0076017

Structure of 112811-68-4

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General Information

  • CAS No. 112811-68-4
  • Cat. No. CS-0076017
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁F₃O₄
  • Molecular Weight 276.21
  • Synonym(s) Moxifloxacin Impurity 96
  • SMILES O=C(CC(OCC)=O)C1=C(F)C(OC)=C(F)C(F)=C1

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4478 - 4487
  • Route2
    • Diethyl 2-(2,4,5-trifluoro-3-methoxybenzoyl)malonate|CS-0831118
      112811-67-3
    • ~86%
    • Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate|CS-0076017
      112811-68-4

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1518856 A1, 2005 ; Location in patent: Page/Page column 12 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 2 p. 199 - 210

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.2484
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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