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CS-W001157 4
Total: USD 88.00

4-Ethoxyphenyl trans-4-butylcyclohexanoate

  • CAS No. 67589-47-3

  • Cat. No. CS-0059657
  • Molecule weight304.42
  • Purity≥98%
  • MDL No.MFCD01941073

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

4-Ethoxyphenyl trans-4-butylcyclohexanoate|CS-0059657

Structure of 67589-47-3

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General Information

  • CAS No. 67589-47-3
  • Cat. No. CS-0059657
  • Purity ≥98%
  • MDL No. MFCD01941073
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₈O₃
  • Molecular Weight 304.42
  • Synonym(s) trans-4-Butylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester
  • SMILES [C@@H]1(CC[C@@H](CC1)CCCC)C(=O)OC=2C=CC(=CC2)OCC

Description

This trans-4-butylcyclohexanoate ester integrates a 4-ethoxyphenyl moiety to deliver enhanced solubility and thermal stability. The rigid cyclohexane scaffold provides defined conformational control, while the ethoxyphenyl group offers tunable electronic properties. Designed for use in advanced organic synthesis and materials development, this compound enables efficient coupling reactions under standard conditions.

Application

4-Ethoxyphenyl trans-4-butylcyclohexanoate serves as a versatile chiral building block in medicinal chemistry, enabling the synthesis of bioactive cyclohexane-containing scaffolds. Its trans-cyclohexane core provides defined stereochemistry, while the ester linkage offers compatibility with standard hydrolysis and derivatization protocols. The ethoxyphenyl group enhances solubility and facilitates purification, making it well-suited for iterative synthetic sequences and scale-up applications.

Synthesis

  • Route1

    References

    • Deutscher,H.-J. et al. Journal fuer Praktische Chemie (Leipzig), 1978 , vol. 320, p. 191 - 205
  • Route2
    • In-stock
      4-Ethoxyphenol|CS-W016502
      622-62-8
    • null|null
      67589-89-3
    • ~%
    • In-stock
      4-Ethoxyphenyl trans-4-butylcyclohexanoate|CS-0059657
      67589-47-3

    References

    • Deutscher,H.-J. et al. Journal fuer Praktische Chemie (Leipzig), 1978 , vol. 320, p. 191 - 205

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   35.53
  • LogP   4.9873
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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