| 1417179-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1417179-08-8
• 化学式: C₁₇H₁₅N₄*F₆P
• 分子量: 420.297
• InChiKey: KBLJQNFEINPHPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.16
• 重原子数：
  28.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.07
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  以 乙腈 为溶剂， 反应 5.0h， 生成 [Cu(2,4-dimethyl-8-phenyl[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-ylidene)(dppe)](PF₆)
  参考文献：
  名称：

  A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes

  摘要：

  HL center dot(PF6) (L = 2,4-dimethyl-8-phenyl[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-ylidene) was synthesized from the nucleophilic reaction of 7-chloro-2,4-dimethyl-1,8-naphthyridine with phenylhydrazine and subsequent acidification, anion exchange, and condensation with triethyl orthoformate. Its silver, copper, cobalt, and nickel complexes [Ag-2(L)(2)(CH3CN)(2)](PF6)(2) (1), [CuL(CH3CN)(2)](PF6) (2), [CuL(phen)](PF6) (3), [CuL(dppe)](PF6) (4), [Co(L)(2)(CH3CN)(2)](PF6)(2) (5), and [Ni(L)(3)](PF6)(2) (6) have been synthesized and fully characterized by NMR, elemental analysis, and X-ray diffraction analysis. The copper complex 2 exhibits excellent catalytic activity in the Cu(I)-catalyzed azide alkyne cycloaddition reaction of 2,2,6,6-tetramethylpiperidinyl-1-oxytethered alkynes in an air atmosphere at 50 degrees C.

  DOI：

  10.1021/om3009876
• 作为产物：
  描述：

  7-氯-2,4-二甲基-[1,8]萘啶 、 苯肼 在 盐酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 13.5h， 生成
  参考文献：
  名称：

  A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes

  摘要：

  HL center dot(PF6) (L = 2,4-dimethyl-8-phenyl[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-ylidene) was synthesized from the nucleophilic reaction of 7-chloro-2,4-dimethyl-1,8-naphthyridine with phenylhydrazine and subsequent acidification, anion exchange, and condensation with triethyl orthoformate. Its silver, copper, cobalt, and nickel complexes [Ag-2(L)(2)(CH3CN)(2)](PF6)(2) (1), [CuL(CH3CN)(2)](PF6) (2), [CuL(phen)](PF6) (3), [CuL(dppe)](PF6) (4), [Co(L)(2)(CH3CN)(2)](PF6)(2) (5), and [Ni(L)(3)](PF6)(2) (6) have been synthesized and fully characterized by NMR, elemental analysis, and X-ray diffraction analysis. The copper complex 2 exhibits excellent catalytic activity in the Cu(I)-catalyzed azide alkyne cycloaddition reaction of 2,2,6,6-tetramethylpiperidinyl-1-oxytethered alkynes in an air atmosphere at 50 degrees C.

  DOI：

  10.1021/om3009876