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CS-W001157 4
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(trans,trans)-4-(2,3-Difluoro-4-methylphenyl)-4'-ethyl-1,1'-bi(cyclohexane)

  • CAS No. 174350-08-4

  • Cat. No. CS-0161999
  • Purity≥98%
  • MDL No.None

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

(trans,trans)-4-(2,3-Difluoro-4-methylphenyl)-4'-ethyl-1,1'-bi(cyclohexane)|CS-0161999

Structure of 174350-08-4

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General Information

  • CAS No. 174350-08-4
  • Cat. No. CS-0161999
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₃₀F₂
  • Molecular Weight 320.46
  • Synonym(s) None
  • SMILES CC[C@H]1CC[C@H]([C@H]2CC[C@H](C3=CC=C(C)C(F)=C3F)CC2)CC1

Description

This (trans,trans)-configured bi-cyclohexane features a 2,3-difluoro-4-methylphenyl group and an ethyl substituent at the 4' position, delivering enhanced rigidity and stereochemical stability. The fluorinated aromatic moiety imparts electron-withdrawing character, while the alkylated cyclohexane framework ensures excellent solubility in nonpolar media. Designed for applications requiring precise conformational control in asymmetric synthesis and materials science.

Application

(trans,trans)-4-(2,3-Difluoro-4-methylphenyl)-4'-ethyl-1,1'-bi(cyclohexane) serves as a sterically defined, conformationally locked biaryl scaffold enabling precise spatial control in medicinal chemistry and materials science. Its robust cyclohexane backbone offers excellent bench stability and functional group tolerance, facilitating downstream derivatization via standard coupling reactions. The difluoro and methyl substituents on the aryl ring enhance metabolic stability and modulate electronic properties, making this compound a reliable building block for targeted molecular architectures.

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   0
  • LogP   6.76342
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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