[3-[Hydroxy-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-2,4,8,10-tetrathiaspiro[5.5]undecan-9-yl]-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol | 315664-15-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [3-[Hydroxy-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-2,4,8,10-tetrathiaspiro[5.5]undecan-9-yl]-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol
• 英文别名: [3-[hydroxy-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-2,4,8,10-tetrathiaspiro[5.5]undecan-9-yl]-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol
• CAS: 315664-15-4
• 化学式: C₉₇H₁₂₄O₁₈S₄
• 分子量: 1706.3
• InChiKey: GXXKKLZKIPWUQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  119
• 可旋转键数：
  44
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  289
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  [3-[Hydroxy-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-2,4,8,10-tetrathiaspiro[5.5]undecan-9-yl]-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol 在 二苯甲酮 作用下， 生成 5-Formyl-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene
  参考文献：
  名称：

  Molecular Assembly and Disassembly:  Novel Photolabile Molecular Hosts

  摘要：

  [GRAPHICS]A new approach to the assembly and photochemical disassembly of molecular hosts is developed. It is based on photoinduced fragmentation in hydroxyalkyl dithianes and utilizes a novel spiro-bis-dithiane as a photolabile molecular tether to link two formylated macromolecular blocks, e.g., formyl calixarenes or formyl dibenzocrown ethers. A key feature of this molecular system is that after an assembly-disassembly cycle the starting macromolecular blocks are recovered intact and can be used again.

  DOI：

  10.1021/ol006692d
• 作为产物：
  描述：

  5-Formyl-25,26,27,28-tetrakis(2-ethoxyethoxy)calix<4>arene 、 2,4,8,10-Tetrathiaspiro[5,5]undecane 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 以71%的产率得到[3-[Hydroxy-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-2,4,8,10-tetrathiaspiro[5.5]undecan-9-yl]-[25,26,27,28-tetrakis(2-ethoxyethoxy)-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methanol
  参考文献：
  名称：

  基于二噻烷的光不稳定分子系统的合成

  摘要：

  Synthesis 2001, No. 8, 18 06 2001. 文章标识符：1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf。© Georg Thieme Verlag Stuttgart · 纽约 ISSN 0039-7881 摘要：描述了基于二硫代锂加成羰基化合物的光不稳定分子系统的合成。螺结构的二噻烷，例如 2,4,8,10-四噻螺[5.5]十一烷和 2,4-二噻-8,10-二氧杂螺[5.5]十一烷被用作系链，因此允许采用模块化方法来构建一组不同的光裂解分子。发现从简单取代的苯甲醛到甲酰化苯并冠醚、碳水化合物或杯芳烃的各种羰基化合物都适用于这种化学。

  DOI：

  10.1055/s-2001-15057

文献信息

• Synthesis of Dithiane-Based Photolabile Molecular Systems
  作者：Andrei Kutateladze、Oleg Mitkin、Yongqin Wan、Alexei Kurchan

  DOI：10.1055/s-2001-15057

  日期：——

  Synthesis 2001, No. 8, 18 06 2001. Article Identifier: 1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf. © Georg Thieme Verlag Stuttgart · New York ISSN 0039-7881 Abstract: Synthesis of photolabile molecular systems based on lithiodithiane addition to carbonyl compounds is described. Dithianes of the spiro structure, e.g., 2,4,8,10-tetrathiaspiro[5.5]undecane and 2,4-dithia-8,10-dioxaspiro[5.5]undecane

  Synthesis 2001, No. 8, 18 06 2001. 文章标识符：1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf。© Georg Thieme Verlag Stuttgart · 纽约 ISSN 0039-7881 摘要：描述了基于二硫代锂加成羰基化合物的光不稳定分子系统的合成。螺结构的二噻烷，例如 2,4,8,10-四噻螺[5.5]十一烷和 2,4-二噻-8,10-二氧杂螺[5.5]十一烷被用作系链，因此允许采用模块化方法来构建一组不同的光裂解分子。发现从简单取代的苯甲醛到甲酰化苯并冠醚、碳水化合物或杯芳烃的各种羰基化合物都适用于这种化学。
• Molecular Assembly and Disassembly:  Novel Photolabile Molecular Hosts
  作者：Yongqin Wan、Oleg Mitkin、Loren Barnhurst、Alexei Kurchan、Andrei Kutateladze

  DOI：10.1021/ol006692d

  日期：2000.11.1

  [GRAPHICS]A new approach to the assembly and photochemical disassembly of molecular hosts is developed. It is based on photoinduced fragmentation in hydroxyalkyl dithianes and utilizes a novel spiro-bis-dithiane as a photolabile molecular tether to link two formylated macromolecular blocks, e.g., formyl calixarenes or formyl dibenzocrown ethers. A key feature of this molecular system is that after an assembly-disassembly cycle the starting macromolecular blocks are recovered intact and can be used again.