5,16,22,33,39,50,56,67,73,83-Decatert-butyl-9,12,26,29,43,46,60,63,76,79-decaoxa-2,36,70,88,90-pentathiahexadecacyclo[56.16.12.17,31.114,81.124,48.141,65.03,8.013,18.020,25.030,35.037,42.047,52.054,59.064,69.071,75.080,85]nonaconta-1(74),3,5,7,13(18),14,16,20,22,24,30(35),31,33,37,39,41,47(52),48,50,54(59),55,57,64,66,68,71(75),72,80(85),81,83-triacontaene | 1130162-27-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5,16,22,33,39,50,56,67,73,83-Decatert-butyl-9,12,26,29,43,46,60,63,76,79-decaoxa-2,36,70,88,90-pentathiahexadecacyclo[56.16.12.17,31.114,81.124,48.141,65.03,8.013,18.020,25.030,35.037,42.047,52.054,59.064,69.071,75.080,85]nonaconta-1(74),3,5,7,13(18),14,16,20,22,24,30(35),31,33,37,39,41,47(52),48,50,54(59),55,57,64,66,68,71(75),72,80(85),81,83-triacontaene
• CAS: 1130162-27-4
• 化学式: C₁₁₅H₁₄₀O₁₀S₅
• 分子量: 1842.7
• InChiKey: SXLLRTLKNPFTON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.3
• 重原子数：
  130
• 可旋转键数：
  10
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  219
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  5,16,22,33,39,50,56,67,73,83-Decatert-butyl-9,12,26,29,43,46,60,63,76,79-decaoxa-2,36,70,88,90-pentathiahexadecacyclo[56.16.12.17,31.114,81.124,48.141,65.03,8.013,18.020,25.030,35.037,42.047,52.054,59.064,69.071,75.080,85]nonaconta-1(74),3,5,7,13(18),14,16,20,22,24,30(35),31,33,37,39,41,47(52),48,50,54(59),55,57,64,66,68,71(75),72,80(85),81,83-triacontaene 在 lithium iodide 作用下， 以 乙醇 、 水 为溶剂， 以84%的产率得到p-tert-butylthiacalix[5]arene
  参考文献：
  名称：

  Casting heteracalixarenes from calixarene templates: a unique synthetic strategy

  摘要：

  我们开发并展示了一种简单、直观和模块化的策略，利用各自的钙烯烃模板合成更高级的杂钙烯烃（尤其是硫杂钙烯烃）同系物。

  DOI：

  10.1039/b817415f
• 作为产物：
  描述：

  5,11,17,23,29-Pentatert-butyl-31,32,33,34,35-pentakis[2-(4-tert-butylphenoxy)ethoxy]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene 在 二氯化硫 作用下， 以 二氯甲烷 为溶剂， 以58%的产率得到5,16,22,33,39,50,56,67,73,83-Decatert-butyl-9,12,26,29,43,46,60,63,76,79-decaoxa-2,36,70,88,90-pentathiahexadecacyclo[56.16.12.17,31.114,81.124,48.141,65.03,8.013,18.020,25.030,35.037,42.047,52.054,59.064,69.071,75.080,85]nonaconta-1(74),3,5,7,13(18),14,16,20,22,24,30(35),31,33,37,39,41,47(52),48,50,54(59),55,57,64,66,68,71(75),72,80(85),81,83-triacontaene
  参考文献：
  名称：

  Casting heteracalixarenes from calixarene templates: a unique synthetic strategy

  摘要：

  我们开发并展示了一种简单、直观和模块化的策略，利用各自的钙烯烃模板合成更高级的杂钙烯烃（尤其是硫杂钙烯烃）同系物。

  DOI：

  10.1039/b817415f

文献信息

• Casting heteracalixarenes from calixarene templates: a unique synthetic strategy
  作者：Mitesh H. Patel、Pranav S. Shrivastav

  DOI：10.1039/b817415f

  日期：——

  A simple, intuitive and modular strategy to synthesize higher heteracalixarene (in particular thiacalixarene) homologs using respective calixarene templates has been developed and demonstrated.

  我们开发并展示了一种简单、直观和模块化的策略，利用各自的钙烯烃模板合成更高级的杂钙烯烃（尤其是硫杂钙烯烃）同系物。