(5S,8S)-1-{[2,6-bis-(pyridin-2-yl)pyridin-4-yl]methyl}-2,4-dioxo-3-phenyl-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid | 1435402-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5S,8S)-1-{[2,6-bis-(pyridin-2-yl)pyridin-4-yl]methyl}-2,4-dioxo-3-phenyl-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
• CAS: 1435402-65-5
• 化学式: C₂₉H₂₄N₆O₄
• 分子量: 520.547
• InChiKey: PZXSPHDDYHCKHQ-SVEHJYQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  128.62
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (5S,8S)-1-{[2,6-bis-(pyridin-2-yl)pyridin-4-yl]methyl}-2,4-dioxo-3-phenyl-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以31%的产率得到(3′S,4S,9′S,11′S)-3,3″-bis({[2,6-bis(pyridin-2-yl)pyridin-4-yl]methyl})-1,1″-diphenyldispiro[imidazolidine-4,5′-[1,7]diazatricyclo[7.3.0.03,7]-dodecane-11′,4″-imidazolidine]-2,2′,2″,5,5″,8′-hexone
  参考文献：
  名称：

  Architectural Spiroligomers Designed for Binuclear Metal Complex Templating

  摘要：

  The first structurally, spectroscopically, and electronically characterized metal-spiroligomer complexes are reported. The binuclear [M2L2](4+) ions (M = Mn, Zn) are macrocyclic "squares" and are characterized by X-ray diffraction, H-1 and C-13 NMR, electronic absorption, emission, and mass spectroscopies. The manganese complex contains two spin-independent Mn-II ions and is additionally characterized using EPR and CD spectroscopies and CV.

  DOI：

  10.1021/ic4003498
• 作为产物：
  描述：

  (3S,5S)-1-[(benzyloxy)carbonyl]-3-({[2,6-bis-(pyridin-2-yl)pyridin-4-yl]methyl}amino)-5-[(tert-butoxy)-carbonyl]pyrrolidine-3-carboxylic acid 在 氢溴酸 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 3.0h， 生成 (5S,8S)-1-{[2,6-bis-(pyridin-2-yl)pyridin-4-yl]methyl}-2,4-dioxo-3-phenyl-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
  参考文献：
  名称：

  Architectural Spiroligomers Designed for Binuclear Metal Complex Templating

  摘要：

  The first structurally, spectroscopically, and electronically characterized metal-spiroligomer complexes are reported. The binuclear [M2L2](4+) ions (M = Mn, Zn) are macrocyclic "squares" and are characterized by X-ray diffraction, H-1 and C-13 NMR, electronic absorption, emission, and mass spectroscopies. The manganese complex contains two spin-independent Mn-II ions and is additionally characterized using EPR and CD spectroscopies and CV.

  DOI：

  10.1021/ic4003498