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CS-W001157 4
Total: USD 88.00

trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid

  • CAS No. 6833-47-2

  • Cat. No. CS-0128921
  • Purity≥98%
  • MDL No.MFCD01076323

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

trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid|CS-0128921

Structure of 6833-47-2

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General Information

  • CAS No. 6833-47-2
  • Cat. No. CS-0128921
  • Purity ≥98%
  • MDL No. MFCD01076323
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) trans-4-Ethylcyclohexanecarboxylic acid
  • SMILES O=C([C@H]1CC[C@H](CC)CC1)O

Description

trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid features a rigid, sterically defined cyclohexane core with equatorially oriented substituents, delivering predictable conformational behavior. The carboxylic acid group enables direct derivatization, while the ethyl moiety enhances lipophilicity and metabolic stability. This stereochemically pure scaffold supports applications in asymmetric synthesis and medicinal chemistry.

Application

trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid serves as a stereochemically defined building block for cyclohexane-based scaffolds in medicinal chemistry and natural product synthesis. Its stable trans-configuration and carboxylic acid functionality enable straightforward derivatization, including amide formation and esterification, while maintaining predictable conformational rigidity. The molecule exhibits excellent bench stability and facilitates efficient purification via recrystallization or chromatography.

Synthesis

  • Route1
    • In-stock
      Benzoic acid, p-ethyl-|CS-0030581
      619-64-7
    • ~%
    • In-stock
      trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid|CS-0128921
      6833-47-2
    • null|null
      6833-62-1

    References

    • Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences, , vol. <B> 62, p. 147
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 32, # 7 p. 1436 - 1441
  • Route3
    • 4-Ethyl-Cyclohexanecarboxylic acid methyl ester|CS-0759043
      828271-40-5
    • ~%
    • In-stock
      trans-(1r,4r)-4-Ethylcyclohexane-1-carboxylic acid|CS-0128921
      6833-47-2
    • null|null
      6833-62-1

    References

    • Journal of Medicinal Chemistry, , vol. 32, # 7 p. 1436 - 1441

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2874
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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