1,3-bis<<7-oxo-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane | 161906-12-3

• 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: 1,3-bis<<7-oxo-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane
• CAS: 161906-12-3
• 化学式: C₁₉H₃₂N₄O₄
• 分子量: 380.487
• InChiKey: UJBCXLFRYFURLY-FUOYASODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.03
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  83.14
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,3-bis<<7-oxo-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane 在 盐酸 、 甲醇 、 camphor-10-sulfonic acid 、 sodium cyanoborohydride 作用下， 生成 (1S,7R,14R,20S)-1,7,10,10,14,20,23,23,29,29,35,35-Dodecamethyl-2,6,15,19-tetraoxa-9,12,22,25,28,31,34,37-octaaza-tricyclo[18.6.6.6^7,14]octatriacontane-8,21,27,33-tetraone
  参考文献：
  名称：

  Synthesis and Metal Complexation Reactions of Bis-Dioxocyclams from Photochemical Reaction of Bis-Chromium Alkoxycarbene Complexes with Imidazolines

  摘要：

  Bis-chromium alkoxycarbene complexes, bridged via the alkoxy groups, underwent photochemical cycloaddition to protected imidazolines to give protected bis-azapenams. Deprotection followed by treatment with acid produced bis-dioxocyclams bridged top and bottom with four-, five-, six-, and twelve-atom alpha,omega-diol linkages. These bis-dioxocyclam ligands formed mono- and bis-nickel(II) complexes. The five-atom bridged system (-O(CH2)(3)O-) was characterized by X-ray crystallography and had a number of unusual features.

  DOI：

  10.1021/ja00117a007
• 作为产物：
  描述：

  1,3-bis<<7-oxo-4-(benzyloxycarbonyl)-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 1,3-bis<<7-oxo-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane 、 1,3-bis<<7-oxo-2,2,6-trimethyl-1,4-diazabicyclo<3.2.0>hept-6-yl>oxy>propane
  参考文献：
  名称：

  Synthesis and Metal Complexation Reactions of Bis-Dioxocyclams from Photochemical Reaction of Bis-Chromium Alkoxycarbene Complexes with Imidazolines

  摘要：

  Bis-chromium alkoxycarbene complexes, bridged via the alkoxy groups, underwent photochemical cycloaddition to protected imidazolines to give protected bis-azapenams. Deprotection followed by treatment with acid produced bis-dioxocyclams bridged top and bottom with four-, five-, six-, and twelve-atom alpha,omega-diol linkages. These bis-dioxocyclam ligands formed mono- and bis-nickel(II) complexes. The five-atom bridged system (-O(CH2)(3)O-) was characterized by X-ray crystallography and had a number of unusual features.

  DOI：

  10.1021/ja00117a007