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CS-W001157 4
Total: USD 88.00

Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate

  • CAS No. 4687-37-0

  • Cat. No. CS-W020068
  • Purity≥95%
  • MDL No.MFCD03424826

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

Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate|CS-W020068

Structure of 4687-37-0

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General Information

  • CAS No. 4687-37-0
  • Cat. No. CS-W020068
  • Purity ≥95%
  • MDL No. MFCD03424826
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₅
  • Molecular Weight None
  • Synonym(s) Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate
  • SMILES O=C(OCC)CC(C1=CC=C(OC)C(OC)=C1)=O

Description

Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate features a conjugated ketone flanked by a sterically hindered dimethoxyaryl group, enabling efficient Michael additions and Claisen condensations. This bench-stable ester integrates readily into complex heterocyclic frameworks under mild conditions.

Synthesis

  • Route1
    • In-stock
      1-(3,4-Dimethoxyphenyl)ethanone|CS-W005151
      1131-62-0
    • null|null
      105-58-8
    • ~75%
    • In-stock
      Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate|CS-W020068
      4687-37-0

    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
  • Route2

    References

    • Genecare Research Institute Co., Ltd Patent: EP1900728 A1, 2008 ; Location in patent: Page/Page column 164-165 ;
  • Route3
    • null|null
      76787-81-0
    • ~93%
    • In-stock
      Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate|CS-W020068
      4687-37-0

    References

    • Mangla, V. K.; Bhakuni, D. S. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 9 p. 748 - 749

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.83
  • LogP   1.8397
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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