((Z)-N-(3,5-bis(4-(tert-butyl)phenyl)-2H-pyrrol-2-ylidene)-3,5-bis(4-(tert-butyl)phenyl)-1H-pyrrol-2-amine) | 1334171-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ((Z)-N-(3,5-bis(4-(tert-butyl)phenyl)-2H-pyrrol-2-ylidene)-3,5-bis(4-(tert-butyl)phenyl)-1H-pyrrol-2-amine)
• 英文别名: (Z)-N-[3,5-bis(4-tert-butylphenyl)-1H-pyrrol-2-yl]-3,5-bis(4-tert-butylphenyl)pyrrol-2-imine
• CAS: 1334171-77-5
• 化学式: C₄₈H₅₅N₃
• 分子量: 673.985
• InChiKey: RXKQBIZCBDVJAU-PJRLTPFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  ((Z)-N-(3,5-bis(4-(tert-butyl)phenyl)-2H-pyrrol-2-ylidene)-3,5-bis(4-(tert-butyl)phenyl)-1H-pyrrol-2-amine) 在 N-碘代丁二酰亚胺 作用下， 以 氯仿 为溶剂， 以66%的产率得到((Z)-N-(3,5-bis(4-(tert-butyl)phenyl)-4-iodo-2H-pyrrol-2-ylidene)-3,5-bis(4-(tert-butyl)phenyl)-4-iodo-1H-pyrrol-2-amine)
  参考文献：
  名称：

  Azadipyrromethene-Based Conjugated Oligomers with Near-IR Absorption and High Electron Affinity

  摘要：

  Solution-processable conjugated oligomers incorporating red-light absorbing azadipyrromethenes (aza-DIPY) within the main chain were synthesized via palladium-catalyzed Sonogashira coupling reactions. Thin films of these compounds absorbed light up to similar to 1000 nm and displayed reversible reductions as ascertained by cyclic voltammetry experiments. Reactions with trifluoroboron etherate yielded materials displaying a unique combination of good solubility in organic solvents, low optical band gaps (similar to 1.3 eV), and high electron affinity (similar to 4.5 eV).

  DOI：

  10.1021/ol202211t
• 作为产物：
  描述：

  对叔丁基苯乙酮 在 ammonium acetate 、 二乙胺 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 正丁醇 为溶剂， 反应 48.0h， 生成 ((Z)-N-(3,5-bis(4-(tert-butyl)phenyl)-2H-pyrrol-2-ylidene)-3,5-bis(4-(tert-butyl)phenyl)-1H-pyrrol-2-amine)
  参考文献：
  名称：

  Azadipyrromethene-Based Conjugated Oligomers with Near-IR Absorption and High Electron Affinity

  摘要：

  Solution-processable conjugated oligomers incorporating red-light absorbing azadipyrromethenes (aza-DIPY) within the main chain were synthesized via palladium-catalyzed Sonogashira coupling reactions. Thin films of these compounds absorbed light up to similar to 1000 nm and displayed reversible reductions as ascertained by cyclic voltammetry experiments. Reactions with trifluoroboron etherate yielded materials displaying a unique combination of good solubility in organic solvents, low optical band gaps (similar to 1.3 eV), and high electron affinity (similar to 4.5 eV).

  DOI：

  10.1021/ol202211t

文献信息

• PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP2402351A1

  公开（公告）日：2012-01-04

  A pyrromethene-boron complex compound represented by the following formula (1); wherein Z1 and Z2 are independently a hydrogen atom, a substituted or unsubstituted aryl group, a substituted or unsubstituted alkoxy group or a substituted or unsubstituted aryloxy group, at least one of Z1 and Z2 is an alkoxy group substituted with a fluorine atom or an aryloxy group substituted with a fluorine atom or a fluoroalkyl group, and Z1 and Z2 may form a ring.

  下式(1)所代表的吡咯烷-硼络合物； 其中 Z1 和 Z2 独立地为氢原子、取代或未取代的芳基、取代或未取代的烷氧基或取代或未取代的芳氧基，Z1 和 Z2 中至少有一个是被氟原子取代的烷氧基或被氟原子或氟烷基取代的芳氧基，且 Z1 和 Z2 可形成一个环。