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CS-W001157 4
Total: USD 88.00

2-Benzyl-3-ethoxy-3-oxopropanoic acid

  • CAS No. 2985-39-9

  • Cat. No. CS-0151881
  • Purity≥97%
  • MDL No.MFCD02215257

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

2-Benzyl-3-ethoxy-3-oxopropanoic acid|CS-0151881

Structure of 2985-39-9

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General Information

  • CAS No. 2985-39-9
  • Cat. No. CS-0151881
  • Purity ≥97%
  • MDL No. MFCD02215257
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) monoethyl benzylmalonate
  • SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)O

Synthesis

  • Route1

    References

    • Jew, Sang-Sup; Kim, Hyun-Ah; Kim, Jeong-Hoon; Park, Hyeung-Geun Heterocycles, 1997 , vol. 46, # 1 p. 65 - 70
  • Route2
    • null|null
      597-55-7
    • ~75%
    • In-stock
      2-Benzyl-3-ethoxy-3-oxopropanoic acid|CS-0151881
      2985-39-9

    References

    • Doni, Eswararao; Mondal, Bhaskar; O'Sullivan, Steven; Tuttle, Tell; Murphy, John A. Journal of the American Chemical Society, 2013 , vol. 135, # 30 p. 10934 - 10937
  • Route3
    • null|null
      100-39-0
    • ~%
    • In-stock
      2-Benzyl-3-ethoxy-3-oxopropanoic acid|CS-0151881
      2985-39-9

    References

    • Vassiliou, Stamatia; Mucha, Artur; Cuniasse, Philippe; Georgiadis, Dimitris; Lucet-Levannier, Karine; Beau, Fabrice; Kannan, Rama; Murphy, Gillian; Knaeuper, Vera; Rio, Marie-Christine; Basset, Paul; Yiotakis, Athanasios; Dive, Vincent Journal of Medicinal Chemistry, 1999 , vol. 42, # 14 p. 2610 - 2620

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.493
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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