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CS-W001157 4
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4-(trans-4-Ethylcyclohexyl)benzonitrile

  • CAS No. 72928-54-2

  • Cat. No. CS-W014966
  • Purity≥97%
  • MDL No.MFCD09750932

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

4-(trans-4-Ethylcyclohexyl)benzonitrile|CS-W014966

Structure of 72928-54-2

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General Information

  • CAS No. 72928-54-2
  • Cat. No. CS-W014966
  • Purity ≥97%
  • MDL No. MFCD09750932
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉N
  • Molecular Weight 213.32
  • Synonym(s) p-(4-Ethylcyclohexyl)benzonitrile
  • SMILES N#CC1=CC=C([C@H]2CC[C@H](CC)CC2)C=C1

Description

4-(trans-4-Ethylcyclohexyl)benzonitrile features a rigid, sterically defined cyclohexyl scaffold linked via a trans-configured alkyl chain to an aromatic nitrile group. This structural motif imparts high thermal stability and favorable solubility in organic media, enabling its use as a building block in functional materials and pharmaceutical intermediates.

Application

4-(trans-4-Ethylcyclohexyl)benzonitrile serves as a versatile building block in medicinal and process chemistry, enabling the construction of rigid, lipophilic scaffolds through standard Suzuki and Buchwald-Hartwig coupling reactions. The trans-ethylcyclohexyl group provides conformational stability and enhanced metabolic resistance, while the nitrile functionality offers direct access to amides and amines via hydrolysis or reduction. Bench-stable and readily purified by column chromatography, it functions effectively in multi-step synthesis workflows requiring robust functional group tolerance.

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   23.79
  • LogP   4.24208
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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