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CS-W001157 4
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(trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carbonitrile

  • CAS No. 65355-35-3

  • Cat. No. CS-0168520
  • Purity≥97%
  • MDL No.None

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

(trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carbonitrile|CS-0168520

Structure of 65355-35-3

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General Information

  • CAS No. 65355-35-3
  • Cat. No. CS-0168520
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₇N
  • Molecular Weight 233.39
  • Synonym(s) [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-
  • SMILES CCC[C@H]1CC[C@@]([C@@]2([H])CC[C@@H](CC2)C#N)([H])CC1

Description

This bench-stable, moisture-tolerant cyclohexane-based nitrile features a rigid trans,trans-alkylated scaffold that imparts high thermal stability and directional molecular polarity. It serves as a structural anchor in asymmetric synthesis and functional materials design.

Application

(trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carbonitrile serves as a rigid, chiral scaffold in asymmetric synthesis, enabling precise spatial control in catalyst design. The conjugated nitrile group facilitates downstream functionalization via nucleophilic addition or reduction, while the sterically defined cyclohexyl framework ensures high diastereoselectivity in transition-metal-catalyzed transformations. Bench-stable and compatible with standard purification methods, it functions effectively in ligand development and molecular scaffold engineering for pharmaceutical intermediates.

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   4.92288
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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