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CS-W001157 4
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8-Ethoxy-8-oxooctanoic acid

  • CAS No. 14113-01-0

  • Cat. No. CS-0446113
  • Purity≥98%
  • MDL No.None

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

8-Ethoxy-8-oxooctanoic acid|CS-0446113

Structure of 14113-01-0

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General Information

  • CAS No. 14113-01-0
  • Cat. No. CS-0446113
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₄
  • Molecular Weight 202.25
  • Synonym(s) Ethyl hydrogen suberate
  • SMILES CCOC(=O)CCCCCCC(=O)O

Description

8-Ethoxy-8-oxooctanoic acid features a strategically positioned ethoxy group flanking a ketone functionality, enabling precise control over reactivity and solubility. This β-keto ester derivative integrates readily into synthetic sequences requiring modulated polarity and enhanced stability under standard conditions.

Application

8-Ethoxy-8-oxooctanoic acid serves as a versatile β-keto ester building block for synthesizing cyclic lactones and heterocyclic scaffolds. Its well-defined functional group array enables reliable enolization, nucleophilic addition, and cyclization reactions under mild conditions. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • COUNCIL OF SCIENTIFIC and INDUSTRIAL RESEARCH; Sarma, Jadab Chandra; Bora, Dilip Chandra; Rao, Paruchuri Gangadhar; Ghosh, Balaram; Balwani, Sakshi Patent: US2013/131350 A1, 2013 ; Location in patent: Paragraph 0091; 0127; 0128; 0129; 0130; 0131 ;
  • Route2
    • null|null
      51503-32-3
    • ~68%
    • In-stock
      Suberic acid|CS-W016016
      505-48-6
    • In-stock
      8-Ethoxy-8-oxooctanoic acid|CS-0446113
      14113-01-0

    References

    • Nicolaou; Estrada, Anthony A.; Zak, Mark; Lee, Sang Hyup; Safina, Brian S. Angewandte Chemie - International Edition, 2005 , vol. 44, # 9 p. 1378 - 1382
  • Route3
    • In-stock
      Suberic acid|CS-W016016
      505-48-6
    • null|null
      64-17-5
    • ~46%
    • In-stock
      8-Ethoxy-8-oxooctanoic acid|CS-0446113
      14113-01-0

    References

    • Menger, Fredric M.; Galloway, Ashley L.; Chlebowski, Mary E.; Wu, Shaoxing Journal of the American Chemical Society, 2006 , vol. 128, # 43 p. 14034 - 14035

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   63.6
  • LogP   1.9747
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   8

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