Ethyl 2-[7-(2-ethoxycarbonylphenyl)-9,9-bis(4-methylphenyl)fluoren-2-yl]benzoate | 913175-29-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Ethyl 2-[7-(2-ethoxycarbonylphenyl)-9,9-bis(4-methylphenyl)fluoren-2-yl]benzoate
• 英文别名: ethyl 2-[7-(2-ethoxycarbonylphenyl)-9,9-bis(4-methylphenyl)fluoren-2-yl]benzoate
• CAS: 913175-29-8
• 化学式: C₄₅H₃₈O₄
• 分子量: 642.794
• InChiKey: GPJJSBDGZUIENP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  49
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[7-(2-ethoxycarbonylphenyl)-9,9-bis(4-methylphenyl)fluoren-2-yl]benzoate 在 盐酸 、 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 5,5,15,15,25,25-Hexakis(4-methylphenyl)heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
  参考文献：
  名称：

  Coplanarity in the Backbones of Ladder-type Oligo(p-phenylene) Homologues and Derivatives

  摘要：

  p-Tolyl-substituted ladder-type oligo(p-phenylene) s containing three, four, and five phenylene rings were readily synthesized. The uniform aryl substitution of these systems allowed us to determine the coplanarity of the d-conjugated backbones crystallographically. The intramolecular annulations eliminate almost all of the conformational disorder and enhance the degree of d-conjugation of the backbones, resulting in significant red shifts in the absorption and emission maxima and lower oxidation potentials in the higher homologues.

  DOI：

  10.1021/ol061762n
• 作为产物：
  描述：

  2-碘苯甲酸乙酯, 、 2,2'-（9,9-二-对甲苯基-9H-芴-2,7-二基）双（4,4,5,5-四甲基-1,3,2-二氧杂硼烷） 在 四(三苯基膦)钯 、 三叔丁基膦 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以90%的产率得到Ethyl 2-[7-(2-ethoxycarbonylphenyl)-9,9-bis(4-methylphenyl)fluoren-2-yl]benzoate
  参考文献：
  名称：

  Coplanarity in the Backbones of Ladder-type Oligo(p-phenylene) Homologues and Derivatives

  摘要：

  p-Tolyl-substituted ladder-type oligo(p-phenylene) s containing three, four, and five phenylene rings were readily synthesized. The uniform aryl substitution of these systems allowed us to determine the coplanarity of the d-conjugated backbones crystallographically. The intramolecular annulations eliminate almost all of the conformational disorder and enhance the degree of d-conjugation of the backbones, resulting in significant red shifts in the absorption and emission maxima and lower oxidation potentials in the higher homologues.

  DOI：

  10.1021/ol061762n