methyl (1R,4aS,10aR)-7-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate | 1433963-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: methyl (1R,4aS,10aR)-7-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
• CAS: 1433963-16-6
• 化学式: C₃₂H₃₇NO₄
• 分子量: 499.65
• InChiKey: KAHGMQSPBWKUBU-AFEGNUHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴苯甲醚 、 methyl 13-(4-methoxyphenylamino)-deisopropyldehydroabietate 在 三叔丁基膦 、 palladium diacetate 、 sodium t-butanolate 作用下， 以 邻二甲苯 为溶剂， 生成 methyl (1R,4aS,10aR)-7-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
  参考文献：
  名称：

  Synthesis and properties of new luminescent hole transporting materials of triarylamine with dehydroabietic acid methyl ester moieties

  摘要：

  A series of triarylamines based on dehydroabietic acid methyl ester moieties (6a-h) were synthesized for possible application as hole transporting materials for organic electroluminescent devices. The target compounds were characterized by elemental analysis, FT-IR, NMR, and mass spectrometry. Their optical, electrochemical, and thermal properties were investigated using UV-vis, PL spectroscopy, cyclic voltammetry (CV), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC), respectively. CV measurements show that the compounds present suitable HOMO values (in a range of -4.63 to -5.11 eV) for hole injection, which is confirmed by theoretical calculations. All compounds were thermally stable. Organic light-emitting diode devices having 6f, 6g, and 6h as a hole transporting layer showed better performance of maximum brightness, turn-on voltage, and maximum luminous efficiency than a comparable device NPB. These compounds could be excellent candidates for applications in OLED devices. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.071