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CS-W001157 4
Total: USD 88.00

4-Ethoxyphenyl trans-4-propylcyclohexanecarboxylate

  • CAS No. 67589-39-3

  • Cat. No. CS-0059656
  • Purity≥98%
  • MDL No.None

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

4-Ethoxyphenyl trans-4-propylcyclohexanecarboxylate|CS-0059656

Structure of 67589-39-3

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General Information

  • CAS No. 67589-39-3
  • Cat. No. CS-0059656
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₆O₃
  • Molecular Weight 290.40
  • Synonym(s) trans-4-Propylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester
  • SMILES [C@@H]1(CC[C@@H](CC1)CCC)C(=O)OC=2C=CC(=CC2)OCC

Description

Trans-4-ethoxyphenyl 4-propylcyclohexanecarboxylate is a sterically defined cyclohexane-based ester featuring a para-substituted ethoxyaryl group and a linear propyl chain. This configuration enhances solubility in organic media while maintaining thermal stability under standard conditions. The trans-configuration ensures predictable conformational rigidity, enabling its use in asymmetric synthesis and molecular scaffold design.

Application

Trans-4-ethoxyphenyl 4-propylcyclohexanecarboxylate serves as a versatile chiral building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its trans-cyclohexane core provides defined stereochemistry, while the ester functionality facilitates selective transformations such as hydrolysis, reduction, or coupling reactions. The molecule exhibits excellent bench stability and ease of purification, making it suitable for scale-up and multi-step synthesis workflows.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   4.5972
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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