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CS-W001157 4
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Ethyl 3-oxo-3-phenylpropanoate

  • CAS No. 94-02-0

  • Cat. No. CS-W007617
  • Purity≥95%
  • MDL No.MFCD00009196

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

Ethyl 3-oxo-3-phenylpropanoate|CS-W007617

Structure of 94-02-0

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General Information

  • CAS No. 94-02-0
  • Cat. No. CS-W007617
  • Purity ≥95%
  • MDL No. MFCD00009196
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight None
  • Synonym(s) Ethyl benzoylacetate,(Benzoylacetic acid ethyl ester)
  • SMILES O=C(OCC)CC(C1=CC=CC=C1)=O

Description

Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate. It was also used to synthesize iodonium ylides.

Synthesis

  • Route1
    • null|null
      623-73-4
    • null|null
      100-52-7
    • ~89%
    • In-stock
      Ethyl 3-oxo-3-phenylpropanoate|CS-W007617
      94-02-0

    References

    • Jeyakumar, Kandasamy; Chand, Dillip Kumar Synthesis, 2008 , # 11 p. 1685 - 1687
  • Route2

    References

    • Bayer Aktiengesellschaft Patent: US3950381 A1, 1976 ;
  • Route3

    References

    • Tsuboi, Sadao; Ishii, Naomi; Sakai, Takashi; Tari, Isao; Utaka, Masanori Bulletin of the Chemical Society of Japan, 1990 , vol. 63, # 7 p. 1888 - 1893

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8225
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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