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CS-W001157 4
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4-Ethylcyclohexan-1-one

  • CAS No. 5441-51-0

  • Cat. No. CS-0226152
  • Purity≥97%
  • MDL No.None

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

4-Ethylcyclohexan-1-one|CS-0226152

Structure of 5441-51-0

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General Information

  • CAS No. 5441-51-0
  • Cat. No. CS-0226152
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) Ethyl Cyclohexanone; 4-Ethylcyclohexanone
  • SMILES O=C1CCC(CC)CC1

Description

4-Ethylcyclohexanone was used to study the biotransformations of 4-Ethylcyclohexanone.

Application

4-Ethylcyclohexan-1-one serves as a versatile cyclohexanone scaffold for stereoselective functionalization and ring-modification reactions. Its alkyl-substituted backbone enhances metabolic stability in bioactive molecule synthesis, while the ketone functionality enables reliable enolate formation, nucleophilic addition, and reductive amination. Bench-stable and amenable to standard purification methods, it functions as a key building block in the construction of terpene analogs and cyclic pharmaceutical intermediates.

Synthesis

  • Route1

    References

    • Hirano, Masao; Nagasawa, Sonoko; Morimoto, Takashi Bulletin of the Chemical Society of Japan, 1991 , vol. 64, # 9 p. 2857 - 2859
  • Route2

    References

    • Polish Journal of Chemistry, , vol. 57, # 7-9 p. 809 - 815
  • Route3
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      74128-81-7
    • ~%
    • In-stock
      4-Ethylcyclohexan-1-one|CS-0226152
      5441-51-0

    References

    • Journal of Organic Chemistry, , vol. 45, # 17 p. 3436 - 3439

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H317-H412
Precautionary Statements : P210-P261-P264-P272-P273-P280-P302+P352-P362-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1557
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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