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CS-W001157 4
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Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate

  • CAS No. 252955-06-9

  • Cat. No. CS-0433694
  • Purity≥95%
  • MDL No.MFCD08061570

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

Ethyl 3-oxo-3-(4-(trifluoromethoxy)phenyl)propanoate|CS-0433694

Structure of 252955-06-9

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General Information

  • CAS No. 252955-06-9
  • Cat. No. CS-0433694
  • Purity ≥95%
  • MDL No. MFCD08061570
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁F₃O₄
  • Molecular Weight 276.21
  • Synonym(s) Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate
  • SMILES O=C(OCC)CC(C1=CC=C(OC(F)(F)F)C=C1)=O

Synthesis

  • Route1

    References

    • Castagnetti, Eva; Schlosser, Manfred European Journal of Organic Chemistry, 2001 , # 4 p. 691 - 695
  • Route2

    References

    • Pidathala, Chandrakala; Amewu, Richard; Pacorel, Benedicte; Nixon, Gemma L.; Gibbons, Peter; Hong, W. David; Leung, Suet C.; Berry, Neil G.; Sharma, Raman; Stocks, Paul A.; Srivastava, Abhishek; Shone, Alison E.; Charoensutthivarakul, Sitthivut; Taylor, Lee; Berger, Olivier; Mbekeani, Alison; Hill, Alasdair; Fisher, Nicholas E.; Warman, Ashley J.; Biagini, Giancarlo A.; Ward, Stephen A.; O'Neill, Paul M. Journal of Medicinal Chemistry, 2012 , vol. 55, # 5 p. 1831 - 1843

Safety Information

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.7211
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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