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CS-W001157 4
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2-Oxohexanoic acid

  • CAS No. 2492-75-3

  • Cat. No. CS-0069654
  • Purity≥97%
  • MDL No.None

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

2-Oxohexanoic acid|CS-0069654

Structure of 2492-75-3

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General Information

  • CAS No. 2492-75-3
  • Cat. No. CS-0069654
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) None
  • SMILES CCCCC(C(O)=O)=O

Description

2-Oxohexanoic acid is a β-keto carboxylic acid featuring a ketone group at the C-2 position, enabling versatile reactivity in synthetic transformations. This bench-stable compound integrates readily into multistep syntheses, particularly in the construction of heterocycles and functionalized alkyl chains.

Application

2-Oxohexanoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to β-keto acid derivatives and heterocyclic scaffolds. Its α,β-unsaturated carbonyl motif facilitates Michael additions, aldol condensations, and cyclization reactions under mild conditions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Kobayashi, Jyumpei; Shimizu, Yasuhiro; Mutaguchi, Yuta; Doi, Katsumi; Ohshima, Toshihisa Journal of Molecular Catalysis B: Enzymatic, 2013 , vol. 94, p. 15 - 22
  • Route2
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      80465-32-3
    • ~93%
    • In-stock
      2-Oxohexanoic acid|CS-0069654
      2492-75-3

    References

    • Shin; Yonezawa; Yamada Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 10 p. 3934 - 3944
  • Route3

    References

    • Krebs Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1933 , vol. 217, p. 201,204, 220 Biochemical Journal, 1935 , vol. 29, p. 1621 - 1630 Full Text Show Details Felix; Zorn Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1939 , vol. 258, p. 18,24 Full Text Show Details Blanchard et al. Journal of Biological Chemistry, 1944 , vol. 155, p. 421,436

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.8303
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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