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CS-W001157 4
Total: USD 88.00

Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate

  • CAS No. 41607-95-8

  • Cat. No. CS-0122086
  • Purity≥96%
  • MDL No.MFCD01311633

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

Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate|CS-0122086

Structure of 41607-95-8

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General Information

  • CAS No. 41607-95-8
  • Cat. No. CS-0122086
  • Purity ≥96%
  • MDL No. MFCD01311633
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight None
  • Synonym(s) Ethyl 3-(2-Methoxyphenyl)-3-oxopropionate
  • SMILES O=C(OCC)CC(C1=CC=CC=C1OC)=O

Application

Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate serves as a versatile synthon in heterocyclic synthesis, enabling efficient construction of substituted chromene and coumarin scaffolds via Michael addition or lactonization protocols. The molecule features a β-keto ester moiety with ortho-methoxy substitution, providing enhanced stability and compatibility with diverse reaction conditions. Its bench-stable nature and straightforward purification profile make it ideal for iterative synthetic sequences in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      141-78-6
    • null|null
      21615-34-9
    • ~10%
    • In-stock
      Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate|CS-0122086
      41607-95-8

    References

    • SCHERING CORPORATION; PHARMACOPEIA, INC. Patent: WO2004/22560 A1, 2004 ; Location in patent: Page 32-33 ; WO 2004/022560 A1
  • Route2
    • In-stock
      1-(2-Methoxyphenyl)ethanone|CS-W016325
      579-74-8
    • null|null
      105-58-8
    • ~86%
    • In-stock
      Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate|CS-0122086
      41607-95-8

    References

    • Chen, Yi-Fong; Lin, Yi-Chien; Huang, Po-Kai; Chan, Hsu-Chin; Kuo, Sheng-Chu; Lee, Kuo-Hsiung; Huang, Li-Jiau Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 17 p. 5064 - 5075
  • Route3
    • In-stock
      3-Ethoxy-3-oxopropanoic acid|CS-0016016
      1071-46-1
    • null|null
      21615-34-9
    • ~24%
    • In-stock
      Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate|CS-0122086
      41607-95-8

    References

    • EVOLVA SA Patent: US2011/178112 A1, 2011 ; Location in patent: Page/Page column 20; 22; 24 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.8311
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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