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CS-W001157 4
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Methyl 4-(3-methoxy-3-oxopropyl)benzoate

  • CAS No. 40912-11-6

  • Cat. No. CS-W014718
  • Purity≥95%
  • MDL No.MFCD00059305

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

Methyl 4-(3-methoxy-3-oxopropyl)benzoate|CS-W014718

Structure of 40912-11-6

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General Information

  • CAS No. 40912-11-6
  • Cat. No. CS-W014718
  • Purity ≥95%
  • MDL No. MFCD00059305
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester
  • SMILES O=C(OC)CCC1=CC=C(C(OC)=O)C=C1

Synthesis

  • Route1

    References

    • Amatore, Muriel; Gosmini, Corinne; Perichon, Jacques Journal of Organic Chemistry, 2006 , vol. 71, # 16 p. 6130 - 6134
  • Route2
    • Methyl (E)-4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate|CS-0120691
      52148-89-7
    • ~96%
    • Methyl 4-(3-methoxy-3-oxopropyl)benzoate|CS-W014718
      40912-11-6

    References

    • Pechlivanidis, Zissis; Hopf, Henning; Ernst, Ludger European Journal of Organic Chemistry, 2009 , # 2 p. 223 - 237
  • Route3

    References

    • Lebedev, S. A.; Lopatina, V. S.; Petrov, E. S.; Beletskaya, I. P. Journal of Organometallic Chemistry, 1988 , vol. 344, p. 253 - 260

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.5788
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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