2,2,6,6-Tetramethyl-4-[[1-[[4-[[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]piperidin-1-ium 1-oxide | 1417179-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2,2,6,6-Tetramethyl-4-[[1-[[4-[[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]piperidin-1-ium 1-oxide
• 英文别名: 2,2,6,6-tetramethyl-4-[[1-[[4-[[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]piperidin-1-ium 1-oxide
• CAS: 1417179-00-0
• 化学式: C₃₂H₅₂N₈O₄
• 分子量: 612.816
• InChiKey: FQDJMRWIHBPXHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2,6,6-Tetramethyl-4-[[1-[[4-[[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]piperidin-1-ium 1-oxide 在 sodium ascorbate 作用下， 以 甲醇 、 水 为溶剂， 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
• 作为产物：
  描述：

  4-(propargoxy)-2,2,6,6-tetramethylpiperidinyl-1-oxy 、 1,4-二甲苯二叠氮化 在 [Cu(2,4-dimethyl-8-phenyl[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-ylidene)(CH₃CN)₂](PF₆) 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以88%的产率得到2,2,6,6-Tetramethyl-4-[[1-[[4-[[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]piperidin-1-ium 1-oxide
  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

文献信息

• A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes
  作者：Xiaolong Liu、Shanfei Pan、Junshi Wu、Yapei Wang、Wanzhi Chen

  DOI：10.1021/om3009876

  日期：2013.1.14

  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.