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CS-W001157 4
Total: USD 88.00

2-Ethylcyclohexan-1-one

  • CAS No. 4423-94-3

  • Cat. No. CS-0103893
  • Purity≥97%
  • MDL No.MFCD00066306

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

2-Ethylcyclohexan-1-one|CS-0103893

Structure of 4423-94-3

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General Information

  • CAS No. 4423-94-3
  • Cat. No. CS-0103893
  • Purity ≥97%
  • MDL No. MFCD00066306
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) 2-Ethylcyclohexanone
  • SMILES O=C1C(CC)CCCC1

Description

2-Ethylcyclohexan-1-one is a cyclic ketone featuring a sterically hindered ethyl substituent at the 2-position, enhancing its stability and reducing unwanted side reactions. This structural motif enables selective functionalization in synthetic routes to pharmaceutical intermediates and specialty polymers.

Application

2-Ethylcyclohexan-1-one serves as a versatile cyclohexanone scaffold for stereoselective functionalization and ring expansion reactions. Its alkyl-substituted ketone functionality enables efficient enolate formation, facilitating aldol condensations and nucleophilic additions. The compound exhibits good bench stability and is readily purified by distillation or recrystallization, making it suitable for use in multi-step synthesis of complex cyclic intermediates and pharmaceutical building blocks.

Synthesis

  • Route1
    • null|null
      1122-24-3
    • ~60%
    • In-stock
      2-Ethylcyclohexan-1-one|CS-0103893
      4423-94-3

    References

    • Begum, M. Kohinoor; Chu, Kai-Hsuan; Coolbaugh, Thomas S.; Rosenblum, Myron; Zhu, Xiao-Ya Journal of the American Chemical Society, 1989 , vol. 111, # 14 p. 5252 - 5259
  • Route2
    • null|null
      3274-96-2
    • ~94%
    • In-stock
      2-Ethylcyclohexan-1-one|CS-0103893
      4423-94-3

    References

    • Linders, Joannes T. M.; Furlano, David C.; Mattson, Mariena V.; Jacobson, Arthur E.; Rice, Kenner C. Letters in Drug Design and Discovery, 2010 , vol. 7, # 2 p. 79 - 87
  • Route3
    • null|null
      329971-04-2
    • ~%
    • 2-Methylcycloheptan-1-one|CS-0458686
      932-56-9
    • In-stock
      2-Ethylcyclohexan-1-one|CS-0103893
      4423-94-3

    References

    • Jun; Lee; Lim Journal of the American Chemical Society, 2001 , vol. 123, # 4 p. 751 - 752

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

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