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Xanthine oxidoreductase-IN-6

  • CAS No. 4329-78-6

  • Cat. No. CS-0110557
  • Purity≥96%
  • MDL No.MFCD06297778

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

Xanthine oxidoreductase-IN-6|CS-0110557

Structure of 4329-78-6

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General Information

  • CAS No. 4329-78-6
  • Cat. No. CS-0110557
  • Purity ≥96%
  • MDL No. MFCD06297778
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₅
  • Molecular Weight 223.24
  • Synonym(s) None
  • SMILES C1(C2=CC=NC=C2)=NNC(C3=CC=NC=C3)=N1

Description

4,4'-(1H-1,2,4-Triazole-3,5-diyl)dipyridine features a rigid, electron-rich triazole-linked dipyridine scaffold that enables strong metal coordination and π-conjugation. This structure supports stable complex formation in catalysis and materials applications, offering enhanced thermal resilience and predictable geometry for supramolecular design.

Application

4,4'-(1H-1,2,4-Triazole-3,5-diyl)dipyridine serves as a versatile bidentate ligand in transition metal catalysis, leveraging its pyridine and triazole moieties for robust coordination to palladium, copper, and nickel centers. The molecule exhibits excellent bench stability, facilitates efficient catalyst recovery in cross-coupling reactions, and enables high-yielding transformations under mild conditions. Its rigid, planar architecture enhances preorganization in catalytic cycles, making it particularly effective in Suzuki-Miyaura and Ullmann-type couplings.

Synthesis

  • Route1

    References

    • Xie, Gang; Li, Bing; Chen, Sanping; Yang, Qi; Wei, Wei; Gao, Shengli Science China Chemistry, 2012 , vol. 55, # 3 p. 443 - 450
  • Route2
    • Topiroxostat Impurity 38|CS-0915434
      445218-61-1
    • ~%
    • In-stock
      Xanthine oxidoreductase-IN-6|CS-0110557
      4329-78-6

    References

    • Sato, Takahiro; Ashizawa, Naoki; Matsumoto, Koji; Iwanaga, Takashi; Nakamura, Hiroshi; Inoue, Tsutomu; Nagata, Osamu Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 21 p. 6225 - 6229
  • Route3

    References

    • Jaschunskii et al. Khimicheskaya Nauka i Promyshlennost, 1957 , vol. 2, p. 658 Chem.Abstr., 1958 , p. 6345

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   67.35
  • LogP   1.9287
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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