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CS-W001157 4
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Ethyl 3-isopropyl-2-oxocyclopentane-1-carboxylate

  • CAS No. 91966-24-4

  • Cat. No. CS-0457994
  • Molecule weight198.26
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-isopropyl-2-oxocyclopentane-1-carboxylate|CS-0457994

Structure of 91966-24-4

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General Information

  • CAS No. 91966-24-4
  • Cat. No. CS-0457994
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈O₃
  • Molecular Weight 198.26
  • Synonym(s) Ethyl 3-isopropyl-2-oxocyclopentanecarboxylate
  • SMILES O=C(C1C(C(C(C)C)CC1)=O)OCC

Synthesis

  • Route1
    • null|null
      25491-46-7
    • ~78%
    • Ethyl 3-isopropyl-2-oxocyclopentane-1-carboxylate|CS-0457994
      91966-24-4

    References

    • Magnus, Philip; Shen, Lan Tetrahedron, 1999 , vol. 55, # 12 p. 3553 - 3560
  • Route2

    References

    • Bunnage, Mark E.; Davies, Stephen G.; Parkin, Richard M.; Roberts, Paul M.; Smith, Andrew D.; Withey, Jonathan M. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 22 p. 3337 - 3354
  • Route3

    References

    • Magnus, Philip; Shen, Lan Tetrahedron, 1999 , vol. 55, # 12 p. 3553 - 3560

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8008
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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