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CS-W001157 4
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Methyl 2-oxo-cycloheptanecarboxylate

  • CAS No. 52784-32-4

  • Cat. No. CS-0043401
  • Purity≥95%
  • MDL No.MFCD00010809

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

Methyl 2-oxo-cycloheptanecarboxylate|CS-0043401

Structure of 52784-32-4

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General Information

  • CAS No. 52784-32-4
  • Cat. No. CS-0043401
  • Purity ≥95%
  • MDL No. MFCD00010809
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight None
  • Synonym(s) Methyl 2-oxo-1-cycloheptanecarboxylate
  • SMILES O=C(C1C(CCCCC1)=O)OC

Application

Methyl 2-oxo-cycloheptanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cycloheptane scaffolds. The ketone and ester functionalities provide orthogonal handles for selective transformations, including enolate chemistry, nucleophilic additions, and reduction sequences. Its bench-stable nature and compatibility with standard reaction conditions facilitate straightforward incorporation into complex molecular architectures relevant to medicinal chemistry and natural product synthesis.

Synthesis

  • Route1
    • null|null
      616-38-6
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      502-42-1
    • ~96%
    • In-stock
      Methyl 2-oxo-cycloheptanecarboxylate|CS-0043401
      52784-32-4

    References

    • Ikeda, Shuhei; Shibuya, Masatoshi; Kanoh, Naoki; Iwabuchi, Yoshiharu Organic Letters, 2009 , vol. 11, # 8 p. 1833 - 1836
  • Route2
    • null|null
      17640-15-2
    • null|null
      502-42-1
    • ~%
    • In-stock
      Methyl 2-oxo-cycloheptanecarboxylate|CS-0043401
      52784-32-4

    References

    • Winkler, Jeffrey D.; Hong, Bor-Cherng; Hey, John P.; Williard, Paul G. Journal of the American Chemical Society, 1991 , vol. 113, # 23 p. 8839 - 8846
  • Route3
    • null|null
      64670-06-0
    • ~%
    • In-stock
      Methyl 2-oxo-cycloheptanecarboxylate|CS-0043401
      52784-32-4

    References

    • Sum,P.-E.; Weiler,L. Canadian Journal of Chemistry, 1977 , vol. 55, p. 996 - 1000

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   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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