4-naphthalene-3-nitrobenzaldehyde | 1187775-07-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-naphthalene-3-nitrobenzaldehyde
• 英文别名: 4-Naphthalen-2-yl-3-nitrobenzaldehyde
• CAS: 1187775-07-0
• 化学式: C₁₇H₁₁NO₃
• 分子量: 277.279
• InChiKey: OEGNCYQHTRKQSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-naphthalene-3-nitrobenzaldehyde 在 三苯基膦 作用下， 以 邻二氯苯 为溶剂， 以76%的产率得到8-formyl-6H-indolo[1,2-b]naphthalene
  参考文献：
  名称：

  Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties

  摘要：

  Two asymmetrically substituted dicyanovinyl heterotetracenes are synthesized and characterized. Single-crystal X-ray diffractions indicate both intermolecular hydrogen bonds and T-stacking existing in the solid-state structures. The solvatochromic behaviors of the two heterotetracenes were investigated in a variety of solvents. Both experimental and computational results suggest that the two heterotetracenes have low-lying lowest unoccupied molecular orbitals and thus may be potential n-type or bipolar organic semiconductors for organic electronics.

  DOI：

  10.1021/jo901381f
• 作为产物：
  描述：

  4-溴-3-硝基苯甲醛 、 2-萘硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到4-naphthalene-3-nitrobenzaldehyde
  参考文献：
  名称：

  Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties

  摘要：

  Two asymmetrically substituted dicyanovinyl heterotetracenes are synthesized and characterized. Single-crystal X-ray diffractions indicate both intermolecular hydrogen bonds and T-stacking existing in the solid-state structures. The solvatochromic behaviors of the two heterotetracenes were investigated in a variety of solvents. Both experimental and computational results suggest that the two heterotetracenes have low-lying lowest unoccupied molecular orbitals and thus may be potential n-type or bipolar organic semiconductors for organic electronics.

  DOI：

  10.1021/jo901381f

文献信息

• Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties
  作者：Chunyan Du、Jianming Chen、Yunlong Guo、Kun Lu、Shanghui Ye、Jian Zheng、Yunqi Liu、Zhigang Shuai、Gui Yu

  DOI：10.1021/jo901381f

  日期：2009.10.2

  Two asymmetrically substituted dicyanovinyl heterotetracenes are synthesized and characterized. Single-crystal X-ray diffractions indicate both intermolecular hydrogen bonds and T-stacking existing in the solid-state structures. The solvatochromic behaviors of the two heterotetracenes were investigated in a variety of solvents. Both experimental and computational results suggest that the two heterotetracenes have low-lying lowest unoccupied molecular orbitals and thus may be potential n-type or bipolar organic semiconductors for organic electronics.