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CS-W001157 4
Total: USD 88.00

Ethyl 3-acetyl-4-oxopentanoate

  • CAS No. 18835-02-4

  • Cat. No. CS-0206366
  • Molecule weight186.21
  • Purity95+%
  • MDL No.MFCD06384307

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

Ethyl 3-acetyl-4-oxopentanoate|CS-0206366

Structure of 18835-02-4

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General Information

  • CAS No. 18835-02-4
  • Cat. No. CS-0206366
  • Purity 95+%
  • MDL No. MFCD06384307
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₄
  • Molecular Weight 186.21
  • Synonym(s) Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester
  • SMILES CCOC(=O)CC(C(=O)C)C(=O)C

Synthesis

  • Route1
    • null|null
      105-36-2
    • null|null
      123-54-6
    • ~94%
    • Ethyl 3-acetyl-4-oxopentanoate|CS-0206366
      18835-02-4

    References

    • ELI LILLY AND COMPANY Patent: WO2008/141020 A1, 2008 ; Location in patent: Page/Page column 52 ; WO 2008/141020 A1
  • Route2

    References

    • Synthetic Communications, , vol. 44, # 1 p. 42 - 48
  • Route3
    • null|null
      105-36-2
    • null|null
      123-54-6
    • ~%
    • Ethyl 3-acetyl-4-oxopentanoate|CS-0206366
      18835-02-4
    • null|null
      132360-73-7

    References

    • Journal of Medicinal Chemistry, , vol. 57, # 6 p. 2773 - 2788

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

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   0.7338
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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