benzo[f]isoquinoline-9-carbaldehyde | 872122-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: benzo[f]isoquinoline-9-carbaldehyde
• 英文别名: benzo[h]isoquinoline-9-carbaldehyde
• CAS: 872122-16-2
• 化学式: C₁₄H₉NO
• 分子量: 207.232
• InChiKey: RIBGAVPFVSIBDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.96
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  benzo[f]isoquinoline-9-carbaldehyde 、 三苯基苄基溴化膦 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以92%的产率得到9-styryl-benzo[f]isoquinoline
  参考文献：
  名称：

  Monoaza[5]helicenes. Part 2: Synthesis, characterisation and theoretical calculations

  摘要：

  The synthesis of four different monoaza[5]helicenes is reported, to complete the whole series of these compounds, so that systematic studies on their properties can be carried out. They were fully characterised via NMR. A theoretical approach to explain why ring closure occurs to give the most crowded compound is reported, in comparison with earlier calculation methods. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.132
• 作为产物：
  描述：

  4-(2-pyridin-3-yl-vinyl)-benzaldehyde 在 对甲苯磺酸 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 50.0h， 生成 benzo[f]isoquinoline-9-carbaldehyde
  参考文献：
  名称：

  Monoaza[5]helicenes. Part 2: Synthesis, characterisation and theoretical calculations

  摘要：

  The synthesis of four different monoaza[5]helicenes is reported, to complete the whole series of these compounds, so that systematic studies on their properties can be carried out. They were fully characterised via NMR. A theoretical approach to explain why ring closure occurs to give the most crowded compound is reported, in comparison with earlier calculation methods. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.132

文献信息

• Synthesis, crystal structure and crystal packing of diaza[5]helicenes
  作者：Cristina Bazzini、Tullio Caronna、Francesca Fontana、Piero Macchi、Andrea Mele、Isabella Natali Sora、Walter Panzeri、Angelo Sironi

  DOI：10.1039/b800050f

  日期：——

  carbo[5]helicenes and monoaza[5]helicenes emphasizes the importance of the “shape factor” (responsible of the isomorphism between some species in the series) as well as the lack of a unique supramolecular effect organizing the molecules in the crystals (responsible for the polymorphism observed for some compounds).

  介绍了已知的氮杂[5]螺旋烯的晶体堆积分析，以及一些新合成的二氮杂[5]螺旋烯物种，其特征是 核磁共振波谱 和 X射线衍射。与碳[5]螺旋和单氮杂[5]螺旋的比较强调了“形状因子”（负责该系列中某些物种之间的同构性）的重要性，以及缺乏组织分子的独特超分子效应。晶体（负责某些化合物的多态性）。
• Monoaza[5]helicenes. Part 2: Synthesis, characterisation and theoretical calculations
  作者：Sergio Abbate、Cristina Bazzini、Tullio Caronna、Francesca Fontana、Cristian Gambarotti、Fabrizio Gangemi、Giovanna Longhi、Andrea Mele、Isabella Natali Sora、Walter Panzeri

  DOI：10.1016/j.tet.2005.09.132

  日期：2006.1

  The synthesis of four different monoaza[5]helicenes is reported, to complete the whole series of these compounds, so that systematic studies on their properties can be carried out. They were fully characterised via NMR. A theoretical approach to explain why ring closure occurs to give the most crowded compound is reported, in comparison with earlier calculation methods. (c) 2005 Elsevier Ltd. All rights reserved.