3,11,18,26,33,36-hexaazapentacyclo[26.2.2.2^13,16.1^5,9.1^20,24]hexatriaconta-5,7,9(36),13,15,20,22,24(33),28,30,31,34-dodecaene-4,10,19,25-tetrathione | 725714-50-1

• 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: 3,11,18,26,33,36-hexaazapentacyclo[26.2.2.2^13,16.1^5,9.1^20,24]hexatriaconta-5,7,9(36),13,15,20,22,24(33),28,30,31,34-dodecaene-4,10,19,25-tetrathione
• 英文别名: 3,11,18,26,33,36-Hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrathione；3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrathione
• CAS: 725714-50-1
• 化学式: C₃₀H₂₆N₆S₄
• 分子量: 598.841
• InChiKey: PMJQGKWNEXTTNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  202
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N,N',N'-四甲基丁二酰胺 、 3,11,18,26,33,36-hexaazapentacyclo[26.2.2.2^13,16.1^5,9.1^20,24]hexatriaconta-5,7,9(36),13,15,20,22,24(33),28,30,31,34-dodecaene-4,10,19,25-tetrathione 以 氯仿 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Construction of new [2]pseudorotaxanes by hydrogen bonding assembly of macrocyclic tetrathiolactam with amides and an ester

  摘要：

  Thionation of a macrocyclic tetralactam gave a new macrocyclic tetrathiolactam. [2]Pseudorotaxanes constructed from the macrocycle with diamides and a diester as a neutral guest have been prepared by a facile threading process. Molecular structures and hydrogen bonding association properties of the [2]pseudorotaxanes were characterized by X-ray crystallography and (1)H NMR spectroscopy. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.114
• 作为产物：
  描述：

  3,11,18,26,33,36-hexaazapentacyclo[26.2.2.2^13,16.1^5,9.1^20,24]hexatriaconta-5,7,9(36),13,15,20,22,24(33),28,30,31,34-dodecaene-4,10,19,25-tetrone 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 60.0h， 以35%的产率得到3,11,18,26,33,36-hexaazapentacyclo[26.2.2.2^13,16.1^5,9.1^20,24]hexatriaconta-5,7,9(36),13,15,20,22,24(33),28,30,31,34-dodecaene-4,10,19,25-tetrathione
  参考文献：
  名称：

  Construction of new [2]pseudorotaxanes by hydrogen bonding assembly of macrocyclic tetrathiolactam with amides and an ester

  摘要：

  Thionation of a macrocyclic tetralactam gave a new macrocyclic tetrathiolactam. [2]Pseudorotaxanes constructed from the macrocycle with diamides and a diester as a neutral guest have been prepared by a facile threading process. Molecular structures and hydrogen bonding association properties of the [2]pseudorotaxanes were characterized by X-ray crystallography and (1)H NMR spectroscopy. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.114