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CS-W001157 4
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Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate

  • CAS No. 176519-53-2

  • Cat. No. CS-0231056
  • Molecule weight248.32
  • Purity≥97%
  • MDL No.None

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

Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate|CS-0231056

Structure of 176519-53-2

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General Information

  • CAS No. 176519-53-2
  • Cat. No. CS-0231056
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀O₃
  • Molecular Weight 248.32
  • Synonym(s) Ethyl 2-isopropyl-3-oxo-4-phenylbutanoate
  • SMILES CCOC(=O)C(C(C)C)C(=O)CC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      140-29-4
    • ~%
    • Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate|CS-0231056
      176519-53-2

    References

    • Sbardella, Gianluca; Mai, Antonello; Artico, Marino; Massa, Silvio; Marceddu, Tiziana; Vargiu, Laura; Marongiu, Maria Elena; La Colla, Paolo Medicinal Chemistry Research, 2000 , vol. 10, # 1 p. 30 - 39
  • Route2
    • null|null
      718-08-1
    • null|null
      75-26-3
    • ~69%
    • Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate|CS-0231056
      176519-53-2

    References

    • Li, Li; Ma, Liying; Wang, Xiaowei; Liu, Junyi Journal of Heterocyclic Chemistry, 2013 , vol. 50, # 1 p. 164 - 168
  • Route3
    • null|null
      609-12-1
    • null|null
      140-29-4
    • ~94%
    • Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate|CS-0231056
      176519-53-2

    References

    • Danel, Krzysztof; Larsen, Erik; Pedersen, Erik B.; Vestergaard, Bent F.; Nielsen, Claus Journal of Medicinal Chemistry, 1996 , vol. 39, # 12 p. 2427 - 2431

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.6335
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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