9-styryl-benzo[f]isoquinoline | 872122-24-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 9-styryl-benzo[f]isoquinoline
• 英文别名: 9-[(Z)-2-phenylethenyl]benzo[f]isoquinoline
• CAS: 872122-24-2
• 化学式: C₂₁H₁₅N
• 分子量: 281.357
• InChiKey: YUVBLISCRKZMAY-SREVYHEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-styryl-benzo[f]isoquinoline 以 苯 为溶剂， 以95%的产率得到3-aza[5]helicene
  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 dimethylacetal 在 sodium methylate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 53.0h， 生成 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

文献信息

• 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.