8,11,14,17,20,23,36,39,42,45,48,51-dodecaoxa-57,58,59,60-tetraazapentacyclo<51.3.1.1^2,6.1^25,29.1^30,35>hexaconta-1(57),2,4,6(58),25,27,29(59),30,32,34(60),53,55-dodecaene | 123074-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 8,11,14,17,20,23,36,39,42,45,48,51-dodecaoxa-57,58,59,60-tetraazapentacyclo<51.3.1.1^2,6.1^25,29.1^30,35>hexaconta-1(57),2,4,6(58),25,27,29(59),30,32,34(60),53,55-dodecaene
• 英文别名: 8,11,14,17,20,23,36,39,42,45,48,51-Dodecaoxa-57,58,59,60-tetrazapentacyclo[51.3.1.12,6.125,29.130,34]hexaconta-1(56),2,4,6(60),25(59),26,28,30,32,34(58),53(57),54-dodecaene；8,11,14,17,20,23,36,39,42,45,48,51-dodecaoxa-57,58,59,60-tetrazapentacyclo[51.3.1.12,6.125,29.130,34]hexaconta-1(56),2,4,6(60),25(59),26,28,30,32,34(58),53(57),54-dodecaene
• CAS: 123074-67-9
• 化学式: C₄₄H₆₀N₄O₁₂
• 分子量: 836.98
• InChiKey: NPIWCOBKJZBBGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  60
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  162
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  羟丙基淀粉磷酸酯 、 6,6’-双(氯甲基)-2,2’-联吡啶 在 sodium hydride 作用下， 生成 8,11,14,17,20,23-hexaoxa-29,30-diazatricyclo<23.3.1.1^2,6>triaconta-1(29),2,4,6(30),25,27-hexaene 、 8,11,14,17,20,23,36,39,42,45,48,51-dodecaoxa-57,58,59,60-tetraazapentacyclo<51.3.1.1^2,6.1^25,29.1^30,35>hexaconta-1(57),2,4,6(58),25,27,29(59),30,32,34(60),53,55-dodecaene 、 8,11,14,17,20,23,36,39,42,45,48,51,64,67,70,73,76,79-octadecaoxa-85,86,87,88,89,90-hexaazaheptacyclo<79.3.1.1^2,6.1^25,27.1^30,34.1^53,57.1^58,62>nonaconta-1(85),2,4,6(86),25,27,29(87),30,32,34(88),53,55,57(89),58,60,62(90),81,83-octadecaene
  参考文献：
  名称：

  Chemistry of heterocyclic compounds. 109. Macrocyclic inclusion complexes. Synthesis, x-ray structural analysis and formation of mono- and dinuclear transition metal complexes of dipyridino crown ethers

  摘要：

  DOI：

  10.1021/jo00282a027

文献信息

• Chemistry of heterocyclic compounds. 109. Macrocyclic inclusion complexes. Synthesis, x-ray structural analysis and formation of mono- and dinuclear transition metal complexes of dipyridino crown ethers
  作者：George R. Newkome、Garry E. Keifer、Dalip K. Kohli、Yuan Jiao Xia、Frank R. Fronczek、Gregory R. Baker

  DOI：10.1021/jo00282a027

  日期：1989.10