[2.2]paracyclophane-4-bis(4,5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)-13-(4,5-diphenyl-1H-imidazol-2-yl) | 1228389-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2.2]paracyclophane-4-bis(4,5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)-13-(4,5-diphenyl-1H-imidazol-2-yl)
• 英文别名: 4,5-bis(3,4-dimethoxyphenyl)-2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-imidazole
• CAS: 1228389-85-2
• 化学式: C₅₀H₄₄N₄O₄
• 分子量: 764.924
• InChiKey: IYFXTHXELLKUSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  58
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  94.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2.2]paracyclophane-4-bis(4,5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)-13-(4,5-diphenyl-1H-imidazol-2-yl) 在 potassium hydroxide 、 potassium hexacyanoferrate(III) 作用下， 以 水 、 苯 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Comprehensive Understanding of Structure- Photosensitivity Relationships of Photochromic [2.2]Paracyclophane-Bridged Imidazole Dimers

  摘要：

  The photochromic [2.2]paracyclophane-bridged imidazole dimers show instantaneous coloration upon exposure to UV light and rapid fading in the dark. Experimental details for the enhancement of the photosensitivity and the unique photoisomerization of newly designed [2.2]paracyclophane-bridged imidazole dimers are demonstrated. We explored the structure-property relationships and demonstrated an efficient strategy for designing high-performance fast-photochromic molecules with increased photosensitivity to solar UVA radiation. The [2.2]paracyclophane-bridged imidazole dimer consists of two types of imidazole rings, Im1 and Im2. Im1 is characterized by a 6 pi electron system with an electron-donating characteristic, whereas Im2 is distinguished by a 4 pi electron system with an electron-withdrawing characteristic. The introduction of electron-donating substituents into the phenyl rings attached to the electron-withdrawing Im2 was proved to enhance the photosensitivity with the aid of the intramolecular charge transfer transitions. The unique photoisomerization resulting from the changes in the bonding manner between two imidazole rings was also investigated in detail.

  DOI：

  10.1021/jp201969q
• 作为产物：
  描述：

  4,15-diformyl[2.2]paracyclophane 在 ammonium acetate 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 35.0h， 生成 [2.2]paracyclophane-4-bis(4,5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)-13-(4,5-diphenyl-1H-imidazol-2-yl)
  参考文献：
  名称：

  EP2397468

  摘要：

  公开号：