9-(p-tolyl)-14b,16-dihydrobenzo[6,7]indolo[3′,4′:3,4,5]azepino[2,1-a]isoquinoline | 1448038-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 9-(p-tolyl)-14b,16-dihydrobenzo[6,7]indolo[3′,4′:3,4,5]azepino[2,1-a]isoquinoline
• 英文别名: 10-(4-Methylphenyl)-11,23-diazahexacyclo[16.6.1.02,11.03,8.012,17.022,25]pentacosa-1(24),3,5,7,9,12,14,16,18(25),19,21-undecaene；10-(4-methylphenyl)-11,23-diazahexacyclo[16.6.1.02,11.03,8.012,17.022,25]pentacosa-1(24),3,5,7,9,12,14,16,18(25),19,21-undecaene
• CAS: 1448038-51-4
• 化学式: C₃₀H₂₂N₂
• 分子量: 410.518
• InChiKey: HLGFRCUHMFZODK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  19
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-[ 2 -(4-甲基苯基)乙炔基]苯甲醛 在 chloro(triphenylphosphine)gold(I)-silver hexafluoroantimonate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.34h， 生成 9-(p-tolyl)-14b,16-dihydrobenzo[6,7]indolo[3′,4′:3,4,5]azepino[2,1-a]isoquinoline
  参考文献：
  名称：

  A Sequential One-Pot Protocol for the Synthesis of Dihydrobenzo[6,7]indolo-[3′,4′:3,4,5]azepino[2,1-a]isoquinolines Using a Gold-Silver Combined Catalyst

  摘要：

  A sequential one-pot protocol for the synthesis of indole-based peri-annulated polyheterocycles using trifluoroacetic acid and a gold-silver combined catalyst system is described. The reaction is thought to proceed via an imine formation-cationic pi-cyclization-alkyne activation-intramolecular hydroamination sequence to yield novel dihydrobenzo[6,7]indolo[3',4':3,4,5]azepino[2,1-a]isoquinolines in good yields.

  DOI：

  10.1055/s-0033-1338424

文献信息

• A Sequential One-Pot Protocol for the Synthesis of Dihydrobenzo[6,7]indolo-[3′,4′:3,4,5]azepino[2,1-a]isoquinolines Using a Gold-Silver Combined Catalyst
  作者：Bijoy Kundu、Mohammad Saifuddin、Srinivas Samala、Deevi Krishna

  DOI：10.1055/s-0033-1338424

  日期：——

  A sequential one-pot protocol for the synthesis of indole-based peri-annulated polyheterocycles using trifluoroacetic acid and a gold-silver combined catalyst system is described. The reaction is thought to proceed via an imine formation-cationic pi-cyclization-alkyne activation-intramolecular hydroamination sequence to yield novel dihydrobenzo[6,7]indolo[3',4':3,4,5]azepino[2,1-a]isoquinolines in good yields.