1,4-bis(10-phenothiazinyl)butane | 83997-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1,4-bis(10-phenothiazinyl)butane
• 英文别名: 1,4-di(phenothiazin-10-yl)butane；10-(4-phenothiazin-10-ylbutyl)phenothiazine
• CAS: 83997-12-0
• 化学式: C₂₈H₂₄N₂S₂
• 分子量: 452.644
• InChiKey: GVCOOYLKYYYRJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  633.3±45.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-bis(10-phenothiazinyl)butane 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以 1,1,2-三氯乙烷 为溶剂， 以74%的产率得到1,4-bis(3-formylphenothiazin-10-yl)butane
  参考文献：
  名称：

  Enhanced Performance of the Dye-Sensitized Solar Cells with Phenothiazine-Based Dyes Containing Double D−A Branches

  摘要：

  Double donor-acceptor (D-A) branched dyes (DBD) with a phenothiazine unit as electron donor and a 2-cyanoacrylic acid unit as electron acceptor were synthesized and used as sensitizers for solar cells (DSSCs). The conversion efficiency of the DSSCs amounts up to 4.22% (2.91% for the single D-A branched dye) under AM 1.5 G irradiation. The results show that the performance of DSSCs can be effectively enhanced by the cooperation of two donor-acceptor containing branches in one molecule of the dyes.

  DOI：

  10.1021/ol2000167
• 作为产物：
  描述：

  1,4-二溴丁烷 、 吩噻嗪 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.83h， 以81%的产率得到1,4-bis(10-phenothiazinyl)butane
  参考文献：
  名称：

  超声辅助合成咔唑，吲哚和吩噻嗪的N-烷基衍生物

  摘要：

  咔唑，吲哚和吩噻嗪等带有氮原子的酸性氢原子杂环化合物可以在氢氧化钾为碱的情况下，在DMSO或N，N -DMF中有效地烷基化。在几乎所有情况下，都会大大缩短反应时间，并明显提高产率，同时提高产品质量。

  DOI：

  10.1002/jhet.1652

文献信息

• An Efficient Ultrasound-Assisted Synthesis of<i>N</i>-Alkyl Derivatives of Carbazole, Indole, and Phenothiazine
  作者：Sanhu Zhao、Jin Kang、Yuting Du、Jingyan Kang、Xiaoni Zhao、Yinfeng Xu、Ruixi Chen、Qianqian Wang、Xitao Shi

  DOI：10.1002/jhet.1652

  日期：2014.5

  Heterocyclic compounds bearing an acidic hydrogen atom attached to nitrogen such as carbazole, indole, and phenothiazine can be efficiently alkylated in DMSO or N,N‐DMF under ultrasonic irradiation in the presence of potassium hydroxide as a base. In almost all cases, a dramatic reduction of the reaction time results and a clear yield increase accompanied by an improved quality of the products occurs

  咔唑，吲哚和吩噻嗪等带有氮原子的酸性氢原子杂环化合物可以在氢氧化钾为碱的情况下，在DMSO或N，N -DMF中有效地烷基化。在几乎所有情况下，都会大大缩短反应时间，并明显提高产率，同时提高产品质量。
• Enhanced Performance of the Dye-Sensitized Solar Cells with Phenothiazine-Based Dyes Containing Double D−A Branches
  作者：Derong Cao、Jinan Peng、Yanping Hong、Xiaoming Fang、Lingyun Wang、Herbert Meier

  DOI：10.1021/ol2000167

  日期：2011.4.1

  Double donor-acceptor (D-A) branched dyes (DBD) with a phenothiazine unit as electron donor and a 2-cyanoacrylic acid unit as electron acceptor were synthesized and used as sensitizers for solar cells (DSSCs). The conversion efficiency of the DSSCs amounts up to 4.22% (2.91% for the single D-A branched dye) under AM 1.5 G irradiation. The results show that the performance of DSSCs can be effectively enhanced by the cooperation of two donor-acceptor containing branches in one molecule of the dyes.