3-[2-(5-Ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene | 874899-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-[2-(5-Ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene
• 英文别名: 3-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene
• CAS: 874899-29-3
• 化学式: C₄₄H₂₂F₁₂S₄
• 分子量: 906.904
• InChiKey: OKHLYDTYSACNOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  3-[2-(5-Bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-bromo-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene 、 3-[2-(5-Ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 反应 12.0h， 以9%的产率得到9,9,10,10,11,11,24,24,25,25,26,26,46,46,47,47,48,48,61,61,62,62,63,63-Tetracosafluoro-6,14,21,29,43,51,58,66-octamethyl-5,15,20,30,42,52,57,67-octathiapentadecacyclo[69.3.1.14,7.113,16.119,22.128,31.134,38.141,44.150,53.156,59.165,68.08,12.023,27.045,49.060,64]tetraoctaconta-1(75),4(84),6,8(12),13,16(83),19(82),21,23(27),28,31(81),34(80),35,37,41(79),43,45(49),50,53(78),56(77),58,60(64),65,68(76),71,73-hexacosaen-2,17,32,39,54,69-hexayne
  参考文献：
  名称：

  Synthesis and photochromic reactivity of macromolecules incorporating four dithienylethene units

  摘要：

  Two macrocycles bearing four dithienylethene units were synthesized. Upon irradiation of the macrocycles 5 and 6 with ultraviolet light, only one or two photo-induced cyclization reaction occurs. Each isomers were isolated and analyzed by H-1 NMR spectrum. The quantum yield of 5 and 6 are 0.58 and 0.64, respectively. The high value is due to the presence of enforced antiparallel conformation in the macrocycles 5 and 6. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.099
• 作为产物：
  描述：

  1,3-二乙炔苯 在 氢氧化钾 、 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 36.0h， 生成 3-[2-(5-Ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-[2-[3-[2-[4-[2-(5-ethynyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]ethynyl]-2-methylthiophene
  参考文献：
  名称：

  Synthesis and photochromic reactivity of macromolecules incorporating four dithienylethene units

  摘要：

  Two macrocycles bearing four dithienylethene units were synthesized. Upon irradiation of the macrocycles 5 and 6 with ultraviolet light, only one or two photo-induced cyclization reaction occurs. Each isomers were isolated and analyzed by H-1 NMR spectrum. The quantum yield of 5 and 6 are 0.58 and 0.64, respectively. The high value is due to the presence of enforced antiparallel conformation in the macrocycles 5 and 6. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.099

文献信息

• Synthesis and photochromic reactivity of macromolecules incorporating four dithienylethene units
  作者：Il Jung、Hyunbong Choi、Eunkyoung Kim、Chai-Ho Lee、Sang Ook Kang、Jaejung Ko

  DOI：10.1016/j.tet.2005.09.099

  日期：2005.12

  Two macrocycles bearing four dithienylethene units were synthesized. Upon irradiation of the macrocycles 5 and 6 with ultraviolet light, only one or two photo-induced cyclization reaction occurs. Each isomers were isolated and analyzed by H-1 NMR spectrum. The quantum yield of 5 and 6 are 0.58 and 0.64, respectively. The high value is due to the presence of enforced antiparallel conformation in the macrocycles 5 and 6. (c) 2005 Elsevier Ltd. All rights reserved.