Ditert-butyl 3,25,33,55-tetraoxa-11,17,41,47-tetrathia-14,44,61,62-tetrazaheptacyclo[55.3.1.127,31.04,9.019,24.034,39.049,54]dohexaconta-1(61),4,6,8,19,21,23,27(62),28,30,34,36,38,49,51,53,57,59-octadecaene-14,44-dicarboxylate | 1327159-40-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ditert-butyl 3,25,33,55-tetraoxa-11,17,41,47-tetrathia-14,44,61,62-tetrazaheptacyclo[55.3.1.127,31.04,9.019,24.034,39.049,54]dohexaconta-1(61),4,6,8,19,21,23,27(62),28,30,34,36,38,49,51,53,57,59-octadecaene-14,44-dicarboxylate
• CAS: 1327159-40-9
• 化学式: C₆₀H₇₂N₄O₈S₄
• 分子量: 1105.52
• InChiKey: PKFTWISDORAABO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  76
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  223
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2,6-Bis<2'-(chloromethyl)phenoxymethyl>pyridine 、 N-tert-butoxycarbonyl bis(2-thioethyl)amine 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 50.0h， 生成 、 Ditert-butyl 3,25,33,55-tetraoxa-11,17,41,47-tetrathia-14,44,61,62-tetrazaheptacyclo[55.3.1.127,31.04,9.019,24.034,39.049,54]dohexaconta-1(61),4,6,8,19,21,23,27(62),28,30,34,36,38,49,51,53,57,59-octadecaene-14,44-dicarboxylate
  参考文献：
  名称：

  Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex

  摘要：

  A large 40-membered N(4)O(4)S(4) macrocyde (L(2)) was obtained through a 2:2 cyclization of the corresponding dithiol and dichloride as a minor product during the preparation of a 20-membered N(2)O(2)S(2) macrocycle (L(1), 1:1 cyclization product). Each macrocyde was successfully separated from the mixed products and identified. The larger macrocyde L(2) allowed the preparation of its dimercury(I) complex, adopting a one-dimensional (1D) stairway-like polymeric chain linked with the anion. A monomercury(II) complex of the smaller macrocyde L(1) was also prepared. Both complexes and the larger macrocyde L(2) were structurally characterized by the single crystal X-ray analysis.

  DOI：

  10.1021/ic2009607