9,31-dimethyl-3,6,10,14,17,20,23,26,30-nonaoxa-2,7-dioxo-11,11,29,29-tetraphenyltricyclo[26.3.0.0(8,12)]hentriaconta-8,31-diene | 1224127-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9,31-dimethyl-3,6,10,14,17,20,23,26,30-nonaoxa-2,7-dioxo-11,11,29,29-tetraphenyltricyclo[26.3.0.0(8,12)]hentriaconta-8,31-diene
• CAS: 1224127-82-5
• 化学式: C₄₈H₅₂O₁₁
• 分子量: 804.934
• InChiKey: KZFWTOVJMJXPLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  59.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  117.21
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙二醇酯 、 4,7,10,13,16-pentaoxa-1,1,19,19-tetraphenyl-1,18-nonadecadiene 在 manganese(III) triacetate dihydrate 、 溶剂黄146 作用下， 反应 0.67h， 以40%的产率得到9,31-dimethyl-3,6,10,14,17,20,23,26,30-nonaoxa-2,7-dioxo-11,11,29,29-tetraphenyltricyclo[26.3.0.0(8,12)]hentriaconta-8,31-diene
  参考文献：
  名称：

  Efficient macrocyclization using methylene-tethered terminal dienes and bis(manganese(III)-enolate)s

  摘要：

  Macrocyclic compounds, which have two fused dihydrofuran rings, were synthesized with complete control by the oxidation of alpha,alpha,omega,omega-tetraaryl-alpha(omega-1)-alkadienes 1(x) with manganese(III)-oligomethylenebis(enolate) complexes directly formed by the reaction of the ohgomethylene bis(3-oxobutanoate)s 2(y) with manganese(III) acetate in situ The oxamethylene-tethered macrodiolides 5 and 7 were also produced in good to moderate yields by a similar oxidation The key intermediate, an election donor-acceptor-like complex, was proposed for the efficient macrocyclization reaction (C) 2010 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.tet.2010.02.022