p-tert-butylthiacalix[5]arene

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: p-tert-butylthiacalix[5]arene
• 英文别名: 5,11,17,23,29-Pentatert-butyl-2,8,14,20,26-pentathiahexacyclo[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-31,32,33,34,35-pentol
• 化学式: C₅₀H₆₀O₅S₅
• 分子量: 901.353
• InChiKey: XAZKAPZQMJNSOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.9
• 重原子数：
  60
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  228
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  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

文献信息

• Facile synthesis of p-tert-butylthiacalix[4]arene by the reaction of p-tert-butylphenol with elemental sulfur in the presence of a base
  作者：Hitoshi Kumagai、Mitsuharu Hasegawa、Setsuko Miyanari、Yoshihiro Sugawa、Yoko Sato、Takashi Hori、Sanae Ueda、Hiroki Kamiyama、Sotaro Miyano

  DOI：10.1016/s0040-4039(97)00792-2

  日期：1997.6

  p-tert-Butylthiacalix[4]arene, in which the four methylene bridges of p-tert-butylcalix[4]arene are replaced by sulfide linkages, is conveniently synthesized in a single step (54%) by heating a mixture of p-tert-butylphenol, elemental sulfur S8, and NaOH in tetraethylene glycol dimethyl ether with concomitant removal of the resulting hydrogen sulfide.

  对叔-Butylthiacalix [4]芳烃，其中的四个亚甲基桥键对叔-butylcalix [4]芳烃通过硫醚键取代，在通过加热的混合物的单一步骤（54％）被方便地合成对-在四甘醇二甲醚中的叔丁基苯酚，元素硫S 8和NaOH，同时除去生成的硫化氢。
• Synthesis of p-tert-Butylthiacalix[4]arene and its Inclusion Property
  作者：Nobuhiko Iki、Chizuko Kabuto、Takanori Fukushima、Hitoshi Kumagai、Haruhiko Takeya、Setsuko Miyanari、Tsutomu Miyashi、Sotaro Miyano

  DOI：10.1016/s0040-4020(00)00030-2

  日期：2000.3

  A practical method for the synthesis of p-tert-butylthiacalix[4]arene (TC4A), in which the methylene bridges of p-tert-butyl-calix[4]arene (C4A) are replaced by epithio groups, is presented by heating a mixture of p-tert-butylphenol, elemental sulfur S-8, and NaOH as a base catalyst in tetraethylene glycol dimethyl ether. The inclusion behavior of TC4A for a wide range of solvent molecules is examined by recrystallization, showing preference for the guests depending upon the size and/or the substituent of the guests. The X-ray structure of a 1:2 host-guest complex of TC4A with 1,2-dichloroethane reveals that one guest molecule is included in the cavity of TC4A, while the other is included in the crystal lattice to form a clathrate-type complex. It is shown that the inclusion in the cavity is attained by a cooperative deformation of both the host and the guest. (C) 2000 Elsevier Science Ltd. All rights reserved.
• 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。