3,6,9,12,15,29,32,38,41-Nonaoxa-35-thiaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene | 1188377-15-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6,9,12,15,29,32,38,41-Nonaoxa-35-thiaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene
• CAS: 1188377-15-2
• 化学式: C₄₄H₅₂O₉S
• 分子量: 756.957
• InChiKey: HGERDYSZHSBDJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3,6,9,12,15,29,32,38,41-Nonaoxa-35-thiaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene 、 potassium picrate 、 silver picrate 以 氘代氯仿 、 氘代乙腈 为溶剂， 生成 [AgK(C44H52O9S)](picrate)2
  参考文献：
  名称：

  Unsymmetrical Calixcrowns Incorporating Hard and Soft Loops as a New Scaffold for Multinuclear Endo/Exocyclic Complexation and Networking

  摘要：

  Unsymmerical calix[4]crowns containing [(O4S)(O-5)] (L-1) and [(O4S2)(O-5)] (L-2) as crown loops were employed as new scaffolds both for complexation studies and for network formation, Reactions of L-1 and L-2 with KI in the presence of CuI afforded a copper(I) iodide cluster linked 1D-type endocyclic dipotassium(I) complex [K-2(L-1)(Cu7I9)](n) (1) and a copper(I) iodide cluster linked 1D-type endocyclic monopotassium(I) complex [KL2 (mu(2)-Cu3I4)](n) (2), respectively. By comparison, the reaction of L-2 with KPF6 in the presence of CuI and HgI2 afforded the 1-D endocyclic potassium(I) complex [K(L-2) (CuHgI4)](n) (3), linked with a CuHgI4 cluster unit. The formation of homo- and heterodinuclear complexes in solution was also confirmed by comparative NMR studies.

  DOI：

  10.1021/ic901314b