methyl 2-(5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate | 1381875-11-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: methyl 2-(5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate
• 英文别名: Methyl 2-{5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene}-1,3-dithiole-4-carboxylate；methyl 2-[2-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene]-1,3-dithiole-4-carboxylate
• CAS: 1381875-11-1
• 化学式: C₁₂H₆O₂S₈
• 分子量: 438.706
• InChiKey: DHXCERPKDOMFOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  229
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl 2-(5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate 在 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 15.33h， 以91%的产率得到2-{5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d]-[1,3]dithiol-2-ylidene}-1,3-dithiole-4-carboxylic acid
  参考文献：
  名称：

  一元和二元羧酸双稠合四硫富瓦烯的合成

  摘要：

  具有单和二羧酸，2- {5-（1,3-二硫醇-2-亚烷基）- [1,3]二硫代[4,5- d ] [1,3]二硫醇-2-的双融合四硫富瓦烯亚基} -1,3-二硫代-4-羧酸（1）和2- {5-（1,3-二硫代-2-亚烷基）-[1,3]二硫代[4,5- d ] [1，合成了3]二硫醇-2-亚烷基} -1，3-二硫醇-4，5-二羧酸（2）。从其1和2的电子吸收光谱和使用密度泛函计算来检查其电子结构。

  DOI：

  10.1016/j.tetlet.2012.04.064
• 作为产物：
  描述：

  4,5-bis(2-cyanoethylsulfanyl)tetrathiafulvalene 在 sodium methylate 、 三甲氧基磷 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 31.0h， 生成 methyl 2-(5-(1,3-dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate
  参考文献：
  名称：

  一元和二元羧酸双稠合四硫富瓦烯的合成

  摘要：

  具有单和二羧酸，2- {5-（1,3-二硫醇-2-亚烷基）- [1,3]二硫代[4,5- d ] [1,3]二硫醇-2-的双融合四硫富瓦烯亚基} -1,3-二硫代-4-羧酸（1）和2- {5-（1,3-二硫代-2-亚烷基）-[1,3]二硫代[4,5- d ] [1，合成了3]二硫醇-2-亚烷基} -1，3-二硫醇-4，5-二羧酸（2）。从其1和2的电子吸收光谱和使用密度泛函计算来检查其电子结构。

  DOI：

  10.1016/j.tetlet.2012.04.064

文献信息

• Organic Transparent Electrode, Method for Producing Organic Transparent Electrode, Touch Panel, Display, Organic Metal, Method for Producing Organic Metal, Compound or Salt Thereof, Electric Wire and Electronic Device
  申请人：National Institute for Materials Science

  公开号：US20150005511A1

  公开（公告）日：2015-01-01

  Provided are a compound capable of becoming an organic transparent electrode, etc. One aspect of the present invention relates to an organic transparent electrode, which is configured from an organic molecule having a Brønsted acid functional group, electron-donating properties, and a π-conjugated plane, characterized by being self-assembled. Another aspect of the present invention relates to the organic transparent electrode characterized in that the Brønsted acid functional group is one member selected from among a carboxylic acid functional group, a sulfonic acid functional group, a phosphonic acid functional group and a thiophosphonic acid functional group.

  提供了一种能够成为有机透明电极的化合物等。本发明的一个方面涉及一种有机透明电极，该电极由具有Brønsted酸官能团、电子给予性和π-共轭平面的有机分子构成，其特征在于自组装。本发明的另一个方面涉及所述有机透明电极，其特征在于Brønsted酸官能团为从羧酸官能团、磺酸官能团、膦酸官能团和硫代膦酸官能团中选择的一种。
• Organic transparent electrode, method for producing organic transparent electrode, touch panel, display, organic metal, method for producing organic metal, compound or salt thereof, electric wire and electronic device
  申请人：National Institute for Materials Science

  公开号：US09202605B2

  公开（公告）日：2015-12-01

  Provided are a compound capable of becoming an organic transparent electrode, etc. One aspect of the present invention relates to an organic transparent electrode, which is configured from an organic molecule having a Brønsted acid functional group, electron-donating properties, and a π-conjugated plane, characterized by being self-assembled. Another aspect of the present invention relates to the organic transparent electrode characterized in that the Brønsted acid functional group is one member selected from among a carboxylic acid functional group, a sulfonic acid functional group, a phosphonic acid functional group and a thiophosphonic acid functional group.

  提供了一种能够成为有机透明电极的化合物等。本发明的一个方面涉及一种有机透明电极，该电极由具有Brønsted酸功能基团、电子给体性质和π-共轭平面的有机分子构成，其特征在于自组装。本发明的另一个方面涉及一种有机透明电极，其特征在于Brønsted酸功能基团是从羧酸功能基团、磺酸功能基团、膦酸功能基团和硫代膦酸功能基团中选择的一种成员。
• ORGANIC TRANSPARENT ELECTRODE, METHOD FOR PRODUCING ORGANIC TRANSPARENT ELECTRODE, TOUCH PANEL, DISPLAY, ORGANIC METAL, METHOD FOR PRODUCING ORGANIC METAL, COMPOUND OR SALT THEREOF, ELECTRIC WIRE AND ELECTRONIC DEVICE
  申请人：National Institute for Materials Science

  公开号：EP2793235A1

  公开（公告）日：2014-10-22

  Provided are a compound capable of becoming an organic transparent electrode, etc. One aspect of the present invention relates to an organic transparent electrode, which is configured from an organic molecule having a Brønsted acid functional group, electron-donating properties, and a π-conjugated plane, characterized by being self-assembled. Another aspect of the present invention relates to the organic transparent electrode characterized in that the Brønsted acid functional group is one member selected from among a carboxylic acid functional group, a sulfonic acid functional group, a phosphonic acid functional group and a thiophosphonic acid functional group.

  本发明提供了一种能够成为有机透明电极的化合物等。本发明的一个方面涉及一种有机透明电极，它是由具有勃氏酸官能团、电子捐赠特性和π-共轭平面的有机分子配置而成，其特征在于它是自组装的。本发明的另一方面涉及有机透明电极，其特征在于布氏酸官能团是从羧酸官能团、磺酸官能团、膦酸官能团和硫代膦酸官能团中选出的一个成员。
• ORGANIC TRANSPARENT ELECTRODE
  申请人：National Institute for Materials Science

  公开号：EP2793235B1

  公开（公告）日：2018-01-10
• US9202605B2
  申请人：——

  公开号：US9202605B2

  公开（公告）日：2015-12-01