3,3'-([1,1'-Biphenyl]-4,4'-diyl)bis(10-hexyl-10H-phenothiazine) | 405198-37-0

• 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: 3,3'-([1,1'-Biphenyl]-4,4'-diyl)bis(10-hexyl-10H-phenothiazine)
• 英文别名: 10-hexyl-3-[4-[4-(10-hexylphenothiazin-3-yl)phenyl]phenyl]phenothiazine
• CAS: 405198-37-0
• 化学式: C₄₈H₄₈N₂S₂
• 分子量: 717.055
• InChiKey: CIPCLWNXWUMHJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,4'-联苯基二硼酸 、 3-bromo-10-hexyl-10H-phenothiazine 在 四(三苯基膦)钯 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 12.0h， 以79%的产率得到3,3'-([1,1'-Biphenyl]-4,4'-diyl)bis(10-hexyl-10H-phenothiazine)
  参考文献：
  名称：

  First synthesis and electronic properties of (hetero)aryl bridged and directly linked redox active phenothiazinyl dyads and triads

  摘要：

  Phenothiazinyl dyads and triads with variable functionalization can be synthesized in good yields by Suzuki coupling with suitable phenothiazinyl boronates. In addition, the structure of the phenylated phenothiazine (6) has been corroborated by an X-ray structure analysis. According to cyclic voltammetry these oligofunctional heterocyclic oligomers are strongly electronically coupled and represent suitable functional units for novel redox active molecular wires. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01848-2

文献信息

• First synthesis and electronic properties of (hetero)aryl bridged and directly linked redox active phenothiazinyl dyads and triads
  作者：C.S Krämer、K Zeitler、T.J.J Müller

  DOI：10.1016/s0040-4039(01)01848-2

  日期：2001.12

  Phenothiazinyl dyads and triads with variable functionalization can be synthesized in good yields by Suzuki coupling with suitable phenothiazinyl boronates. In addition, the structure of the phenylated phenothiazine (6) has been corroborated by an X-ray structure analysis. According to cyclic voltammetry these oligofunctional heterocyclic oligomers are strongly electronically coupled and represent suitable functional units for novel redox active molecular wires. (C) 2001 Elsevier Science Ltd. All rights reserved.