17-[4-[2-[2,4-Dimethyl-5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene | 213554-54-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 17-[4-[2-[2,4-Dimethyl-5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
• CAS: 213554-54-2
• 化学式: C₄₅H₅₀F₆O₁₀S₂
• 分子量: 929.008
• InChiKey: CNLFYZARKNCCOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  63
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  17-[4-[2-[2,4-Dimethyl-5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene 以 乙腈 为溶剂， 生成 4,14-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]hexadeca-1(15),16,18-trien-17-yl)-8,8,9,9,10,10-hexafluoro-1,2,5,13-tetramethyl-3,15-dithiatetracyclo[10.3.0^2,6.0^7,11]pentadeca-4,6(7),11(12),13-tetraene
  参考文献：
  名称：

  Alkali metal ion effect on the photochromism of 1,2-bis(2,4-dimethylthien-3-yl)-perfluorocyclopentene having benzo-15-crown-5 moieties

  摘要：

  The photocyclization quantum yield of 1,2-bis(2,4-dimethylthien-3-yl)perfluorocyclopentene having two benzo-15-crown-5 ethers was decreased by the addition of potassium and rubidium perchlorates, and the decrease is ascribed to the increase of the photoinactive parallel conformation ratio by the intramolecular interaction of the two crown ether moieties with a metal ion. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01681-5
• 作为产物：
  描述：

  15-iodo-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecane 在 正丁基锂 作用下， 反应 3.0h， 生成 17-[4-[2-[2,4-Dimethyl-5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
  参考文献：
  名称：

  Photoresponsive Tweezers for Alkali Metal Ions. Photochromic Diarylethenes Having Two Crown Ether Moieties

  摘要：

  Alkali metal ion extraction was carried out using photochromic dithienylethene having two benzo-12-crown-4 ethers (1), benzo-15-crown-5 ethers (2), or benzo-18-crown-6 ethers moieties (3) and bis(benzothienyl)ethene having two benzo-18-crown-6 ether moieties (4). Two crown ether moieties of the open-ring form captured large metal ions cooperatively like tweezers, while the photogenerated closed-ring form released the ions. The reduced affinities for metal picrates were fully recovered by irradiation with visible light (>480 nm). The H-1 NMR spectrum measurement of the solutions (CDCl3/CD3CN: 5/1) containing both alkali metal picrates and 2 or 3 confirmed that the large alkali metal ions were captured by the two intramolecular crown ethers,

  DOI：

  10.1021/jo980290q

文献信息

• Photoresponsive Tweezers for Alkali Metal Ions. Photochromic Diarylethenes Having Two Crown Ether Moieties
  作者：Michinori Takeshita、Masahiro Irie

  DOI：10.1021/jo980290q

  日期：1998.9.1

  Alkali metal ion extraction was carried out using photochromic dithienylethene having two benzo-12-crown-4 ethers (1), benzo-15-crown-5 ethers (2), or benzo-18-crown-6 ethers moieties (3) and bis(benzothienyl)ethene having two benzo-18-crown-6 ether moieties (4). Two crown ether moieties of the open-ring form captured large metal ions cooperatively like tweezers, while the photogenerated closed-ring form released the ions. The reduced affinities for metal picrates were fully recovered by irradiation with visible light (>480 nm). The H-1 NMR spectrum measurement of the solutions (CDCl3/CD3CN: 5/1) containing both alkali metal picrates and 2 or 3 confirmed that the large alkali metal ions were captured by the two intramolecular crown ethers,
• Alkali metal ion effect on the photochromism of 1,2-bis(2,4-dimethylthien-3-yl)-perfluorocyclopentene having benzo-15-crown-5 moieties
  作者：Michinori Takeshita、Chai Fong Soong、Masahiro Irie

  DOI：10.1016/s0040-4039(98)01681-5

  日期：1998.10

  The photocyclization quantum yield of 1,2-bis(2,4-dimethylthien-3-yl)perfluorocyclopentene having two benzo-15-crown-5 ethers was decreased by the addition of potassium and rubidium perchlorates, and the decrease is ascribed to the increase of the photoinactive parallel conformation ratio by the intramolecular interaction of the two crown ether moieties with a metal ion. (C) 1998 Elsevier Science Ltd. All rights reserved.