Ethyl 2-[6-(2-ethoxycarbonylphenyl)-9-phenylcarbazol-3-yl]benzoate | 915224-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Ethyl 2-[6-(2-ethoxycarbonylphenyl)-9-phenylcarbazol-3-yl]benzoate
• 英文别名: ethyl 2-[6-(2-ethoxycarbonylphenyl)-9-phenylcarbazol-3-yl]benzoate
• CAS: 915224-45-2
• 化学式: C₃₆H₂₉NO₄
• 分子量: 539.631
• InChiKey: NEBPYPZMWWMBBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[6-(2-ethoxycarbonylphenyl)-9-phenylcarbazol-3-yl]benzoate 在 盐酸 、 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 16.0h， 生成 4,4,19,19-Tetrakis(4-methylphenyl)-15-phenyl-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18(26),20,22,24-dodecaene
  参考文献：
  名称：

  Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores

  摘要：

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.

  DOI：

  10.1021/ol061791y
• 作为产物：
  描述：

  3,6-二溴-9-苯基咔唑 在 四(三苯基膦)钯 、 正丁基锂 、 三叔丁基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 48.0h， 生成 Ethyl 2-[6-(2-ethoxycarbonylphenyl)-9-phenylcarbazol-3-yl]benzoate
  参考文献：
  名称：

  Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores

  摘要：

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.

  DOI：

  10.1021/ol061791y

文献信息

• Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores
  作者：Ken-Tsung Wong、Teng-Chih Chao、Liang-Chen Chi、Ying-Ying Chu、Akula Balaiah、Shih-Feng Chiu、Yi-Hung Liu、Yu Wang

  DOI：10.1021/ol061791y

  日期：2006.10.1

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.