4-[(E)-2-naphthalen-2-ylethenyl]-2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-2-yl]pyridine | 1136133-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-[(E)-2-naphthalen-2-ylethenyl]-2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-2-yl]pyridine
• CAS: 1136133-23-7
• 化学式: C₃₄H₂₄N₂
• 分子量: 460.578
• InChiKey: KJYZHVPTOYZTMA-WGDLNXRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-萘甲醛 、 2,2’-联吡啶-4,4’-二甲磷酸二乙酯 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以88%的产率得到4-[(E)-2-naphthalen-2-ylethenyl]-2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-2-yl]pyridine
  参考文献：
  名称：

  Sterically driven electronic properties of naphthalene- and anthracene-end-capped 2,2′-bipyridine luminophores: synthesis and density functional theory

  摘要：

  Two naphthalene- and one anthracene-end-capped 4,4'-pi-conjugated-2,2'-bipyridine chromophores have been synthesized via the Horner-Wordsworth-Emmons reaction protocol and their electronic absorption and emission properties have been examined. DFT and TD-DFT computational studies have been carried out in order to comprehend the role of steric factor over the electronic factor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.032

文献信息

• Sterically driven electronic properties of naphthalene- and anthracene-end-capped 2,2′-bipyridine luminophores: synthesis and density functional theory
  作者：Tanmay Chatterjee、Monima Sarma、Susanta Ghanta、Samar K. Das

  DOI：10.1016/j.tetlet.2011.08.032

  日期：2011.10

  Two naphthalene- and one anthracene-end-capped 4,4'-pi-conjugated-2,2'-bipyridine chromophores have been synthesized via the Horner-Wordsworth-Emmons reaction protocol and their electronic absorption and emission properties have been examined. DFT and TD-DFT computational studies have been carried out in order to comprehend the role of steric factor over the electronic factor. (C) 2011 Elsevier Ltd. All rights reserved.