4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(5'-tert-butyl-5-(4-methoxyphenyl)-2,2'-bithiophene)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(5'-tert-butyl-5-(4-methoxyphenyl)-2,2'-bithiophene)
• 英文别名: 5-(5-Tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-(4-methoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-(4-methoxyphenyl)thiophene；5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-(4-methoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-(4-methoxyphenyl)thiophene
• 化学式: C₄₃H₃₈F₆O₂S₄
• 分子量: 829.028
• InChiKey: AWXUABDQOLDRFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(5'-tert-butyl-5-(4-methoxyphenyl)-2,2'-bithiophene) 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以74%的产率得到4,4'-(4,4''-(perfluorocyclopent-1-ene-1,2-diyl)bis(5'-(tert-butyl)-[2,2'-bithiophene]-5,4-diyl))diphenol
  参考文献：
  名称：

  US2014/256936

  摘要：

  公开号：
• 作为产物：
  描述：

  全氟环戊烯 、 4-bromo-5'-tert-butyl-5-(4-methoxyphenyl)-2,2'-bithiophene 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 0.25h， 以35%的产率得到4,4'-(perfluorocyclopent-1-ene-1,2-diyl)bis(5'-tert-butyl-5-(4-methoxyphenyl)-2,2'-bithiophene)
  参考文献：
  名称：

  US2014/256936

  摘要：

  公开号：

文献信息

• DIARYLETHENE COMPOUNDS AND USES THEREOF
  申请人：SWITCH MATERIALS, INC.

  公开号：US20160083398A1

  公开（公告）日：2016-03-24

  A compound according to Formula IA and IB, reversibly convertible under photochromic and electrochromic conditions between a ring-open isomer A and a ring-closed isomer B is provided. For substitutent groups, Z is N, O or S; each R 1 is independently selected from the group consisting of H, or halo; each R 2 is independently selected from the group consisting of H, halo, a polymer backbone, alkyl or aryl; or, when both R 2 together form —CH═CH— and form part of a polymer backbone; each R 3 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl; each R 4 is aryl; and each R 5 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl.

  本发明提供了一种按照式IA和IB的化合物，在光致变色和电致变色条件下，可在环开放异构体A和环闭合异构体B之间可逆地转化。对于取代基，Z为N、O或S；每个R1独立地选自H或卤素；每个R2独立地选自H、卤素、聚合物骨架、烷基或芳基；或者，当两个R2一起形成-CH═CH-并形成聚合物骨架的一部分时；每个R3独立地选自H、卤素、烷基、烷氧基、硫代烷基或芳基；每个R4为芳基；每个R5独立地选自H、卤素、烷基、烷氧基、硫代烷基或芳基。
• Diarylethene compounds and uses thereof
  申请人：SWITCH MATERIALS, INC.

  公开号：US10556912B2

  公开（公告）日：2020-02-11

  A compound according to Formula IA and IB, reversibly convertible under photochromic and electrochromic conditions between a ring-open isomer A and a ring-closed isomer B is provided. For substitutent groups, Z is N, O or S; each R1 is independently selected from the group consisting of H, or halo; each R2 is independently selected from the group consisting of H, halo, a polymer backbone, alkyl or aryl; or, when both R2 together form —CH═CH— and form part of a polymer backbone; each R3 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl; each R4 is aryl; and each R5 is independently selected from the group consisting of H, halo, alkyl, alkoxy, thioalkyl or aryl.

  提供了一种根据式 IA 和 IB 的化合物，该化合物在光致变色和电致变色条件下可在开环异构体 A 和闭环异构体 B 之间进行可逆转换。对于取代基，Z 是 N、O 或 S；每个 R1 独立地选自 H 或卤代；每个 R2 独立地选自 H、卤代、聚合物骨架、烷基或芳基；或者，当两个 R2 一起形成 -CH═CH- 并构成聚合物骨架的一部分时；每个 R3 独立地选自由 H、卤素、烷基、烷氧基、硫代烷基或芳基组成的组；每个 R4 是芳基；每个 R5 独立地选自由 H、卤素、烷基、烷氧基、硫代烷基或芳基组成的组。
• Optical filter comprising a variable transmittance layer
  申请人：Solutia Canada Inc.

  公开号：US11079617B2

  公开（公告）日：2021-08-03

  An optical filter comprising a variable transmittance layer having a first spectrum in a dark state, and a second spectrum in a faded state; and a color balancing layer having a third spectrum; each of the first, second and third spectra comprising a visible portion; the first and third spectra combining to provide a dark state spectrum approximating a dark state target color, and the second and third spectra combining to provide a faded state spectrum approximating a faded state target color. The optical filter may further comprise a light attenuating layer. The optical filter may further comprise part of a laminated glass.

  一种光学滤光片，包括一个可变透射率层，该层具有暗状态下的第一光谱和褪色状态下的第二光谱；以及一个色彩平衡层，该层具有第三光谱；第一、第二和第三光谱中的每一个光谱都包括一个可见光部分；第一和第三光谱组合在一起，提供一个近似于暗状态目标颜色的暗状态光谱，而第二和第三光谱组合在一起，提供一个近似于褪色状态目标颜色的褪色状态光谱。滤光片可进一步包括光衰减层。滤光片可进一步包括夹层玻璃的一部分。
• US20140256936A1
  申请人：——

  公开号：US20140256936A1

  公开（公告）日：2014-09-11
• OPTICAL FILTER COMPRISING A VARIABLE TRANSMITTANCE LAYER
  申请人：SWITCH MATERIALS INC.

  公开号：US20190346699A1

  公开（公告）日：2019-11-14

  An optical filter comprising a variable transmittance layer having a first spectrum in a dark state, and a second spectrum in a faded state; and a color balancing layer having a third spectrum; each of the first, second and third spectra comprising a visible portion; the first and third spectra combining to provide a dark state spectrum approximating a dark state target color, and the second and third spectra combining to provide a faded state spectrum approximating a faded state target color. The optical filter may further comprise a light attenuating layer. The optical filter may further comprise part of a laminated glass.