pyreno[2,1-h]isoquinoline | 1021865-24-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: pyreno[2,1-h]isoquinoline
• 英文别名: 5-Azahexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1(23),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaene；5-azahexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1(23),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaene
• CAS: 1021865-24-6
• 化学式: C₂₃H₁₃N
• 分子量: 303.363
• InChiKey: APTWXFKNSHEQGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  6.0
• 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

• 作为产物：
  描述：

  在 三氟甲磺酸 作用下， 反应 24.0h， 以65%的产率得到pyreno[2,1-h]isoquinoline
  参考文献：
  名称：

  Preparation of Aza-Polycyclic Aromatic Compounds via Superelectrophilic Cyclizations

  摘要：

  [GRPHICS]Alkenyl-substituted N-heterocycles react in superacidic CF3SO3H (triflic acid) to produce dicationic intermediates. These superelectrophiles undergo cyclizations to give varied aza-polycyclic aromatic compounds in generally good yields (27-99%, 16 examples). Theoretical calculations indicate a preference for charge-separated dicationic intermediates.

  DOI：

  10.1021/jo8003474

文献信息

• Preparation of Aza-Polycyclic Aromatic Compounds via Superelectrophilic Cyclizations
  作者：Ang Li、Thomas M. Gilbert、Douglas A. Klumpp

  DOI：10.1021/jo8003474

  日期：2008.5.1

  [GRPHICS]Alkenyl-substituted N-heterocycles react in superacidic CF3SO3H (triflic acid) to produce dicationic intermediates. These superelectrophiles undergo cyclizations to give varied aza-polycyclic aromatic compounds in generally good yields (27-99%, 16 examples). Theoretical calculations indicate a preference for charge-separated dicationic intermediates.