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CS-W001157 4
Total: USD 88.00

(S)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile

  • CAS No. 63799-11-1

  • Cat. No. CS-W012657
  • Purity≥97%
  • MDL No.MFCD00192280

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

(S)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile|CS-W012657

Structure of 63799-11-1

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General Information

  • CAS No. 63799-11-1
  • Cat. No. CS-W012657
  • Purity ≥97%
  • MDL No. MFCD00192280
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₉N
  • Molecular Weight 249.35
  • Synonym(s) (S)-4'-(2-Methylbutyl)-4-biphenylcarbonitrile
  • SMILES N#CC1=CC=C(C2=CC=C(C[C@@H](C)CC)C=C2)C=C1

Description

This chiral biphenyl nitrile features a (S)-configured 2-methylbutyl side chain that imparts enhanced solubility and stereochemical fidelity. The para-cyano group provides strong electron-withdrawing character, enabling effective coupling in transition-metal-catalyzed transformations. Designed for asymmetric synthesis applications, this compound offers high stability under standard handling conditions and serves as a valuable scaffold in medicinal chemistry and catalyst development.

Application

(S)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile serves as a versatile chiral building block for the synthesis of functionalized biaryl scaffolds. The nitrile group enables downstream transformations such as amide formation and reduction to primary amines, while the (S)-configured 2-methylbutyl side chain provides stereochemical control in asymmetric synthesis. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient integration into medicinal chemistry campaigns and API development workflows.

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

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   4.81388
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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