4-[7-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-2,1,3-benzothiadiazol-4-yl]-1H-thieno[3,4-d]imidazol-2(3H)-one | 1221713-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4-[7-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-2,1,3-benzothiadiazol-4-yl]-1H-thieno[3,4-d]imidazol-2(3H)-one
• 英文别名: 4-[4-(2-Oxo-1,3-dihydrothieno[3,4-d]imidazol-4-yl)-2,1,3-benzothiadiazol-7-yl]-1,3-dihydrothieno[3,4-d]imidazol-2-one
• CAS: 1221713-93-4
• 化学式: C₁₆H₈N₆O₂S₃
• 分子量: 412.477
• InChiKey: GMYNJWJNSPHYJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  193
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,1,3-苯并噻二唑 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 42.0h， 生成 4-[7-(2-oxo-2,3-dihydro-1H-thieno[3,4-d]imidazol-4-yl)-2,1,3-benzothiadiazol-4-yl]-1H-thieno[3,4-d]imidazol-2(3H)-one
  参考文献：
  名称：

  π-electron conjugated compound, manufacturing method therefor, and π-electron conjugated polymer obtained using same

  摘要：

  提供了一种π-电子共轭聚合物，其具有适用于作为电致变色材料的结构单元，该结构单元由一般式（2）表示，从预期的有色状态变为无色状态，一种作为该聚合物原料的新化合物，以及一种制备该聚合物的方法：其中每个X独立地表示从氧原子、硫原子、—NH—和—NR1—（其中R1是具有1到20个碳原子的可选择取代的烷基基团或具有6到20个碳原子的可选择取代的芳基基团）中选择的一个；每个Y独立地表示氧原子或硫原子；每个Z独立地表示选择自氢原子和具有1到20个碳原子的可选择取代的有机基团的一种；W是选择自乙炔基团、可选择取代的乙烯基团、可选择取代的芳基基团和可选择取代的二价杂环芳基团的一种；n是大于或等于2的整数。

  公开号：

  US08519150B2

文献信息

• PI-ELECTRON CONJUGATED COMPOUND, MANUFACTURING METHOD THEREFOR, AND PI-ELECTRON CONJUGATED POLYMER OBTAINED USING SAME
  申请人：Kondou Yoshirou

  公开号：US20110201777A1

  公开（公告）日：2011-08-18

  Provided are a π-electron conjugated polymer having a constitutional unit represented by general formula (2) that is suitable as an electrochromic material that changes from a desired colored state to a decolored state, a new compound that is a raw material of the polymer, and a method for producing the polymer: wherein each X independently represents one selected from the group consisting of an oxygen atom, a sulfur atom, —NH—, and —NR 1 — (wherein R 1 is an optionally substituted alkyl group having 1 to 20 carbon atoms or an optionally substituted aryl group having 6 to 20 carbon atoms); each Y independently represents an oxygen atom or a sulfur atom; each Z independently represents one selected from the group consisting of a hydrogen atom and optionally substituted organic groups having 1 to 20 carbon atoms, and W is one selected from the group consisting of an ethynylene group, an optionally substituted ethenylene group, optionally substituted arylene groups, and optionally substituted divalent heteroaromatic ring groups; and n is an integer of 2 or greater.

  提供了一种π-电子共轭聚合物，其具有适用于电致变色材料的构成单元，该材料从所需的有色状态变为无色状态，一种作为该聚合物原料的新化合物以及一种制备该聚合物的方法：其中，每个X独立地表示从由氧原子、硫原子、—NH—和—NR1—（其中R1是具有1至20个碳原子的可选取代烷基或具有6至20个碳原子的可选取代芳基）组成的群体中选择的一个；每个Y独立地表示氧原子或硫原子；每个Z独立地表示从氢原子和具有1至20个碳原子的可选取代有机基团中选择的一个，W从乙炔基、可选取代的乙烯基、可选取代的芳基基团和可选取代的双价杂环芳基环组成的群体中选择一个；n为大于或等于2的整数。
• -ELECTRON CONJUGATED COMPOUND, MANUFACTURING METHOD THEREFOR, AND -ELECTRON CONJUGATED POLYMER OBTAINED USING SAME
  申请人：Kuraray Co., Ltd.

  公开号：EP2338925A1

  公开（公告）日：2011-06-29

  Provided are a n-electron conjugated polymer having a constitutional unit represented by general formula (2) that is suitable as an electrochromic material that changes from a desired colored state to a decolored state, a new compound that is a raw material of the polymer, and a method for producing the polymer: wherein each X independently represents one selected from the group consisting of an oxygen atom, a sulfur atom, -NH-, and -NR1- (wherein R1 is an optionally substituted alkyl group having 1 to 20 carbon atoms or an optionally substituted aryl group having 6 to 20 carbon atoms); each Y independently represents an oxygen atom or a sulfur atom; each Z independently represents one selected from the group consisting of a hydrogen atom and optionally substituted organic groups having 1 to 20 carbon atoms, and W is one selected from the group consisting of an ethynylene group, an optionally substituted ethenylene group, optionally substituted arylene groups, and optionally substituted divalent heteroaromatic ring groups; and n is an integer of 2 or greater.

  本发明提供了一种具有通式(2)表示的组成单元的 n 电子共轭聚合物，该聚合物适合用作从所需的有色状态变为脱色状态的电致变色材料；还提供了一种作为该聚合物原料的新化合物，以及一种生产该聚合物的方法：其中每个 X 独立地代表选自由氧原子、硫原子、-NH- 和-NR1-（其中 R1 是具有 1 至 20 个碳原子的任选取代的烷基或具有 6 至 20 个碳原子的任选取代的芳基）组成的组中的一个； 每个 Y 独立地代表氧原子或硫原子；每个 Z 独立地代表选自由氢原子和具有 1 至 20 个碳原子的任选取代的有机基团组成的 组，W 是选自由乙炔基团、任选取代的乙烯基团、任选取代的芳烯基团和任选取代的二价杂 芳环基团组成的组；以及 n 是 2 或更大的整数。
• PI-ELECTRON CONJUGATED COMPOUND, MANUFACTURING METHOD THEREFOR, AND PI-ELECTRON CONJUGATED POLYMER OBTAINED USING SAME
  申请人：Kuraray Co., Ltd.

  公开号：EP2338925B1

  公开（公告）日：2012-12-19
• US8519150B2
  申请人：——

  公开号：US8519150B2

  公开（公告）日：2013-08-27
• π-electron conjugated compound, manufacturing method therefor, and π-electron conjugated polymer obtained using same
  申请人：Kondou Yoshirou

  公开号：US08519150B2

  公开（公告）日：2013-08-27

  Provided are a π-electron conjugated polymer having a constitutional unit represented by general formula (2) that is suitable as an electrochromic material that changes from a desired colored state to a decolored state, a new compound that is a raw material of the polymer, and a method for producing the polymer: wherein each X independently represents one selected from the group consisting of an oxygen atom, a sulfur atom, —NH—, and —NR1— (wherein R1 is an optionally substituted alkyl group having 1 to 20 carbon atoms or an optionally substituted aryl group having 6 to 20 carbon atoms); each Y independently represents an oxygen atom or a sulfur atom; each Z independently represents one selected from the group consisting of a hydrogen atom and optionally substituted organic groups having 1 to 20 carbon atoms, and W is one selected from the group consisting of an ethynylene group, an optionally substituted ethenylene group, optionally substituted arylene groups, and optionally substituted divalent heteroaromatic ring groups; and n is an integer of 2 or greater.

  提供了一种π-电子共轭聚合物，其具有适用于作为电致变色材料的结构单元，该结构单元由一般式（2）表示，从预期的有色状态变为无色状态，一种作为该聚合物原料的新化合物，以及一种制备该聚合物的方法：其中每个X独立地表示从氧原子、硫原子、—NH—和—NR1—（其中R1是具有1到20个碳原子的可选择取代的烷基基团或具有6到20个碳原子的可选择取代的芳基基团）中选择的一个；每个Y独立地表示氧原子或硫原子；每个Z独立地表示选择自氢原子和具有1到20个碳原子的可选择取代的有机基团的一种；W是选择自乙炔基团、可选择取代的乙烯基团、可选择取代的芳基基团和可选择取代的二价杂环芳基团的一种；n是大于或等于2的整数。