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CS-W001157 4
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Ethyl 3-(2,6-dimethoxyphenyl)-3-oxopropanoate

  • CAS No. 125732-13-0

  • Cat. No. CS-0122087
  • Molecule weight252.26
  • Purity≥98%
  • MDL No.MFCD08458320

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

Ethyl 3-(2,6-dimethoxyphenyl)-3-oxopropanoate|CS-0122087

Structure of 125732-13-0

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General Information

  • CAS No. 125732-13-0
  • Cat. No. CS-0122087
  • Purity ≥98%
  • MDL No. MFCD08458320
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₅
  • Molecular Weight 252.26
  • Synonym(s) Benzenepropanoic acid, 2,6-dimethoxy-β-oxo-, ethyl ester
  • SMILES O=C(OCC)CC(C1=C(OC)C=CC=C1OC)=O

Synthesis

  • Route1
    • null|null
      1491168-31-0
    • ~68%
    • Ethyl 3-(2,6-dimethoxyphenyl)-3-oxopropanoate|CS-0122087
      125732-13-0

    References

    • Kohrt, Jeffrey T.; Conn, Ed; Maguire, Robert; Wright, Stephen W.; Singer, Robert Tetrahedron Letters, 2013 , vol. 54, # 51 p. 7065 - 7068
  • Route2

    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

    References

    • Tetrahedron Letters, , vol. 54, # 51 p. 7065 - 7068

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

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