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CS-W001157 4
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Ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate

  • CAS No. 104222-46-0

  • Cat. No. CS-0440156
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate|CS-0440156

Structure of 104222-46-0

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General Information

  • CAS No. 104222-46-0
  • Cat. No. CS-0440156
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈BrF₃O₃
  • Molecular Weight 325.08
  • Synonym(s) Ethyl 3-bromo-2,4,5-trifluorobenzoylacetate
  • SMILES C1(=C(C(=C(C(=C1)C(CC(OCC)=O)=O)F)Br)F)F

Synthesis

  • Route1
    • 4,4-Dimethyl-2-(2,4,5-trifluoro-phenyl)-4,5-dihydro-oxazole|CS-0341929
      125290-72-4
    • ~%
    • Ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate|CS-0440156
      104222-46-0

    References

    • Journal of Heterocyclic Chemistry, , vol. 33, # 4 p. 1407 - 1411
  • Route2

    References

    • Journal of Heterocyclic Chemistry, , vol. 33, # 4 p. 1407 - 1411
  • Route3
    • null|null
      182937-75-3
    • ~%
    • Ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate|CS-0440156
      104222-46-0

    References

    • Journal of Heterocyclic Chemistry, , vol. 33, # 4 p. 1407 - 1411

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   3.0023
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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