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CS-W001157 4
Total: USD 88.00

1,1-Diethyl 3-oxocyclopentane-1,1-dicarboxylate

  • CAS No. 180573-13-1

  • Cat. No. CS-0052768
  • Molecule weight228.24
  • Purity≥97%
  • MDL No.None

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

1,1-Diethyl 3-oxocyclopentane-1,1-dicarboxylate|CS-0052768

Structure of 180573-13-1

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General Information

  • CAS No. 180573-13-1
  • Cat. No. CS-0052768
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O₅
  • Molecular Weight 228.24
  • Synonym(s) Diethyl 3-oxocyclopentane-1,1-dicarboxylate
  • SMILES CCOC(=O)C1(CCC(=O)C1)C(=O)OCC

Synthesis

  • Route1
    • diethyl 3-hydroxycyclopentane-1,1-dicarboxylate|CS-0054990
      21736-07-2
    • ~%
    • 1,1-Diethyl 3-oxocyclopentane-1,1-dicarboxylate|CS-0052768
      180573-13-1

    References

    • BIOPROJET; Sun Pharmaceuticals Industries Ltd. Patent: EP1650186 A1, 2006 ; Location in patent: Page/Page column 14 ; EP 1650186 A1
  • Route2
    • null|null
      105-53-3
    • null|null
      155622-69-8
    • ~13%
    • 1,1-Diethyl 3-oxocyclopentane-1,1-dicarboxylate|CS-0052768
      180573-13-1

    References

    • Westerlund, Andreas; Gras, Jean-Louis; Carlson, Rolf Tetrahedron, 2001 , vol. 57, # 27 p. 5879 - 5883
  • Route3
    • null|null
      7459-46-3
    • ~%
    • 1,1-Diethyl 3-oxocyclopentane-1,1-dicarboxylate|CS-0052768
      180573-13-1

    References

    • Sung; Bisel; Frahm Pharmazie, 1998 , vol. 53, # 8 p. 521 - 524

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

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   0.852
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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