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CS-W001157 4
Total: USD 88.00

Ethyl 3-oxo-3-(o-tolyl)propanoate

  • CAS No. 51725-82-7

  • Cat. No. CS-0042530
  • Purity≥96%
  • MDL No.MFCD03424817

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

Ethyl 3-oxo-3-(o-tolyl)propanoate|CS-0042530

Structure of 51725-82-7

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General Information

  • CAS No. 51725-82-7
  • Cat. No. CS-0042530
  • Purity ≥96%
  • MDL No. MFCD03424817
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight None
  • Synonym(s) Ethyl 3-Oxo-3-(o-tolyl)propionate
  • SMILES O=C(OCC)CC(C1=CC=CC=C1C)=O

Synthesis

  • Route1
    • In-stock
      2-Methylacetophenone|CS-W013374
      577-16-2
    • null|null
      105-58-8
    • ~76%
    • In-stock
      Ethyl 3-oxo-3-(o-tolyl)propanoate|CS-0042530
      51725-82-7

    References

    • Genentech, Inc. Patent: US2012/22043 A1, 2012 ; Location in patent: Page/Page column 89 ; US 20120022043 A1
  • Route2
    • null|null
      211318-51-3
    • ~90%
    • In-stock
      Ethyl 3-oxo-3-(o-tolyl)propanoate|CS-0042530
      51725-82-7

    References

    • Liao, Mingyi; Wang, Jianbo Tetrahedron Letters, 2006 , vol. 47, # 50 p. 8859 - 8861
  • Route3
    • null|null
      95-46-5
    • In-stock
      3-Ethoxy-3-oxopropanoic acid potassium|CS-D1444
      6148-64-7
    • null|null
      82102-37-2
    • ~68%
    • In-stock
      Ethyl 3-oxo-3-(o-tolyl)propanoate|CS-0042530
      51725-82-7

    References

    • Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Skrydstrup, Troels Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9763 - 9766 Angew. Chem., 2013 , vol. 125, # 37 p. 9945 - 9948

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   43.37
  • LogP   2.13092
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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