1,2-bis(2,6-dimethyldithieno[3,2-b;2',3'-d]thiophene-3-yl)hexafluorocyclopent-1-ene | 533930-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 1,2-bis(2,6-dimethyldithieno[3,2-b;2',3'-d]thiophene-3-yl)hexafluorocyclopent-1-ene
• 英文别名: 1,2-bis(2,6-dimethyldithieno[3,2-b;2',3'-d]thiophen-3-yl)perfluorocyclopentene；5-[2-(4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-5-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• CAS: 533930-14-2
• 化学式: C₂₅H₁₄F₆S₆
• 分子量: 620.773
• InChiKey: XCQHYYWNNGPUHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1,2-bis(2,6-dimethyldithieno[3,2-b;2',3'-d]thiophene-3-yl)hexafluorocyclopent-1-ene 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  摘要：

  A new approach to the synthesis of dithienothiophene was developed, and 1,2-bis(2,6-dimethyldithieno[3,2-b;2,'3'-d]thiophen-3-yl)hexafluorocyclopent-1-ene was prepared. The latter compound is the first representative of photochromic dihetarylethenes with the fused tricyclic fragments linked through the perfluorocyclene bridge.

  DOI：

  10.1023/a:1021676313508
• 作为产物：
  描述：

  5,5-二甲基-2,2-并噻吩 在 copper(I) oxide 、 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 溶剂黄146 、 对苯二酚 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 41.41h， 生成 1,2-bis(2,6-dimethyldithieno[3,2-b;2',3'-d]thiophene-3-yl)hexafluorocyclopent-1-ene
  参考文献：
  名称：

  摘要：

  A new approach to the synthesis of dithienothiophene was developed, and 1,2-bis(2,6-dimethyldithieno[3,2-b;2,'3'-d]thiophen-3-yl)hexafluorocyclopent-1-ene was prepared. The latter compound is the first representative of photochromic dihetarylethenes with the fused tricyclic fragments linked through the perfluorocyclene bridge.

  DOI：

  10.1023/a:1021676313508

文献信息

• Electrochemical Cyclization/Cycloreversion Reactions of Diarylethenes
  作者：Yoshihisa Moriyama、Kenji Matsuda、Naoki Tanifuji、Setsuko Irie、Masahiro Irie

  DOI：10.1021/ol051149o

  日期：2005.7.1

  Electrochemical oxidation of diarylethene derivatives induced cyclization or cycloreversion reactions. The reaction mechanism was studied with CV, absorption spectra, and theoretical calculation.