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CS-W001157 4
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Ethyl 2-methyl-3-oxo-3-phenylpropanoate

  • CAS No. 10488-87-6

  • Cat. No. CS-W005494
  • Molecule weight206.24
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-methyl-3-oxo-3-phenylpropanoate|CS-W005494

Structure of 10488-87-6

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General Information

  • CAS No. 10488-87-6
  • Cat. No. CS-W005494
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) Propionic acid, 2-benzoyl-, ethyl ester
  • SMILES O=C(OCC)C(C)C(C1=CC=CC=C1)=O

Description

Ethyl 2-methyl-3-oxo-3-phenylpropanoate features a conjugated enone system flanked by a sterically hindered methyl group and a phenyl substituent, enabling efficient Michael additions and Claisen condensations. This bench-stable ester integrates readily into complex molecular architectures under standard conditions.

Application

Ethyl 2-methyl-3-oxo-3-phenylpropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted benzodihydropyrans and heterocyclic scaffolds. Its α,β-unsaturated ketone functionality facilitates Michael additions and condensation reactions, while the ester group supports subsequent transformations such as hydrolysis or reduction. The molecule exhibits good bench stability and is amenable to purification via standard chromatographic methods, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • In-stock
      Ethyl 3-oxo-3-phenylpropanoate|CS-W007617
      94-02-0
    • null|null
      74-88-4
    • ~99%
    • In-stock
      Ethyl 2-methyl-3-oxo-3-phenylpropanoate|CS-W005494
      10488-87-6

    References

    • Gonzalez, Davinia Fernandez; Brand, Jonathan P.; Waser, Jerome Chemistry - A European Journal, 2010 , vol. 16, # 31 p. 9457 - 9461
  • Route2
    • null|null
      93-55-0
    • null|null
      105-58-8
    • ~30%
    • In-stock
      Ethyl 2-methyl-3-oxo-3-phenylpropanoate|CS-W005494
      10488-87-6

    References

    • Bertogg, Andreas; Hintermann, Lukas; Huber, Dominique P.; Perseghini, Mauro; Sanna, Maria; Togni, Antonio Helvetica Chimica Acta, 2012 , vol. 95, # 3 p. 353 - 403
  • Route3
    • null|null
      24744-96-5
    • ~82%
    • In-stock
      Ethyl 2-methyl-3-oxo-3-phenylpropanoate|CS-W005494
      10488-87-6

    References

    • Smith, Amos B.; Levenberg, Patricia A. Synthesis, 1981 , # 7 p. 567 - 570

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   2.0685
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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