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CS-W001157 4
Total: USD 88.00

2-(N-Anilino)pyrimidine

  • CAS No. 57356-49-7

  • Cat. No. CS-0206768
  • Purity≥98%
  • MDL No.MFCD01646270

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

2-(N-Anilino)pyrimidine|CS-0206768

Structure of 57356-49-7

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General Information

  • CAS No. 57356-49-7
  • Cat. No. CS-0206768
  • Purity ≥98%
  • MDL No. MFCD01646270
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃
  • Molecular Weight 171.20
  • Synonym(s) N-phenylpyrimidin-2-amine
  • SMILES C1=CC=C(C=C1)NC2=NC=CC=N2

Description

2-(N-Anilino)pyrimidine features a pyrimidine core conjugated to an anilino group, delivering enhanced electron density at the heterocyclic ring. This structural arrangement supports efficient coordination in catalytic systems and facilitates integration into functional materials requiring extended π-conjugation. The compound exhibits bench-stable handling and favorable solubility in common organic solvents.

Application

2-(N-Anilino)pyrimidine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its anilino group facilitates electrophilic substitution and metal-catalyzed coupling reactions, while the pyrimidine core provides a stable, planar platform for structure-activity studies. The compound exhibits good bench stability and is compatible with common purification methods, making it suitable for iterative synthesis workflows in drug discovery.

Synthesis

  • Route1
    • In-stock
      2-Chloropyrimidine|CS-W008600
      1722-12-9
    • null|null
      74497-02-2
    • ~88%
    • In-stock
      2-(N-Anilino)pyrimidine|CS-0206768
      57356-49-7

    References

    • Shaw, Julian W.; Grayson, David H.; Rozas, Isabel Arkivoc, 2014 , vol. 2014, # 2 p. 161 - 174
  • Route2
    • In-stock
      2-Aminopyrimidine|CS-W020110
      109-12-6
    • null|null
      108-86-1
    • ~96%
    • In-stock
      2-(N-Anilino)pyrimidine|CS-0206768
      57356-49-7

    References

    • Shaw, Julian W.; Grayson, David H.; Rozas, Isabel Arkivoc, 2014 , vol. 2014, # 2 p. 161 - 174
  • Route3

    References

    • Kim, A. Young; Lee, Hyun Ju; Park, Ji Chan; Kang, Hyunju; Yang, Haesik; Song, Hyunjoon; Park, Kang Hyun Molecules, 2009 , vol. 14, # 12 p. 5169 - 5178

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.81
  • LogP   2.2202
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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