14-[4-[2-[2,4-Dimethyl-5-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene | 213554-53-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 14-[4-[2-[2,4-Dimethyl-5-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
• CAS: 213554-53-1
• 化学式: C₄₁H₄₂F₆O₈S₂
• 分子量: 840.902
• InChiKey: PJULUYOXJSCILL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  57
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  14-[4-[2-[2,4-Dimethyl-5-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene 以 氘代氯仿 为溶剂， 生成 4,14-bis(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-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：

  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
• 作为产物：
  描述：

  2,4-二甲基噻吩 在 正丁基锂 作用下， 反应 3.0h， 生成 14-[4-[2-[2,4-Dimethyl-5-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-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,