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CS-W001157 4
Total: USD 88.00

4-(Pyridin-4-yl)aniline

  • CAS No. 13296-04-3

  • Cat. No. CS-W008791
  • Molecule weight170.21
  • Purity≥97%
  • MDL No.MFCD00970053

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

4-(Pyridin-4-yl)aniline|CS-W008791

Structure of 13296-04-3

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General Information

  • CAS No. 13296-04-3
  • Cat. No. CS-W008791
  • Purity ≥97%
  • MDL No. MFCD00970053
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂
  • Molecular Weight 170.21
  • Synonym(s) 4-(Pyridin-4-yl)phenylamine
  • SMILES NC1=CC=C(C2=CC=NC=C2)C=C1

Description

4-(Pyridin-4-yl)aniline integrates a pyridine ring with an aniline moiety, delivering a rigid, electron-rich scaffold ideal for conjugated systems. This bifunctional architecture enables direct coupling in pharmaceutical intermediates and functional materials, offering enhanced solubility and stability under standard conditions.

Application

4-(Pyridin-4-yl)aniline serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of biaryl scaffolds through palladium-catalyzed cross-coupling reactions. Its dual aromatic functionality—pyridine and aniline—confers enhanced solubility, hydrogen-bonding capacity, and tunable basicity, facilitating interactions in target binding sites. The molecule exhibits good bench stability, mild handling requirements, and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in drug discovery and functional material development.

Synthesis

  • Route1
    • Tert-butyl N-(4-pyridin-4-ylphenyl)carbamate|CS-0746797
      197435-52-2
    • ~99%
    • In-stock
      4-(Pyridin-4-yl)aniline|CS-W008791
      13296-04-3

    References

    • H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.; SCHONBRUNN, Ernst; LI, Rongshi; SEBTI, Said M. Patent: WO2013/112722 A1, 2013 ; Location in patent: Page/Page column 45 ;
  • Route2
    • null|null
      59656-60-9
    • ~91%
    • In-stock
      4-(Pyridin-4-yl)aniline|CS-W008791
      13296-04-3

    References

    • Conole, Daniel; Beck, Thorsten M.; Jay-Smith, Morgan; Tingle, Malcolm D.; Eason, Charles T.; Brimble, Margaret A.; Rennison, David Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2220 - 2235
  • Route3
    • 4-(4-Nitrophenyl)pyridine|CS-0195589
      4282-45-5
    • ~99%
    • In-stock
      4-(Pyridin-4-yl)aniline|CS-W008791
      13296-04-3

    References

    • Agouron Pharmaceuticals, Inc. Patent: EP1215208 A2, 2002 ; Location in patent: Example C(122) ; EP 1215208 A2

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

Quality Control

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Computational Chemistry Data

  • TPSA   38.91
  • LogP   2.3308
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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