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CS-W001157 4
Total: USD 88.00

Ethyl 2,4-dioxo-4-phenylbutanoate

  • CAS No. 6296-54-4

  • Cat. No. CS-W013146
  • Purity≥95%
  • MDL No.MFCD01935977

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

Ethyl 2,4-dioxo-4-phenylbutanoate|CS-W013146

Structure of 6296-54-4

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General Information

  • CAS No. 6296-54-4
  • Cat. No. CS-W013146
  • Purity ≥95%
  • MDL No. MFCD01935977
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₄
  • Molecular Weight 220.22
  • Synonym(s) ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
  • SMILES O=C(OCC)C(CC(C1=CC=CC=C1)=O)=O

Synthesis

  • Route1
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • null|null
      95-92-1
    • ~99%
    • In-stock
      Ethyl 2,4-dioxo-4-phenylbutanoate|CS-W013146
      6296-54-4

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2005957 A1, 2008 ; Location in patent: Page/Page column 54 ;
  • Route2
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • null|null
      95-92-1
    • ~98%
    • In-stock
      Ethyl 2,4-dioxo-4-phenylbutanoate|CS-W013146
      6296-54-4

    References

    • Richter, Anja; Rose, Rolf; Hedberg, Christian; Waldmann, Herbert; Ottmann, Christian Chemistry - A European Journal, 2012 , vol. 18, # 21 p. 6520 - 6527
  • Route3
    • null|null
      95-92-1
    • In-stock
      4-Methoxyacetophenone|CS-0008322
      100-06-1
    • ~90%
    • In-stock
      Ethyl 2,4-dioxo-4-phenylbutanoate|CS-W013146
      6296-54-4

    References

    • Richter, Anja; Rose, Rolf; Hedberg, Christian; Waldmann, Herbert; Ottmann, Christian Chemistry - A European Journal, 2012 , vol. 18, # 21 p. 6520 - 6527

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   1.3916
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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