| 1587705-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• CAS: 1587705-19-8
• 化学式: C₅₅H₃₄N₂O₂
• 分子量: 754.887
• InChiKey: UXBGLICIGYFHLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.83
• 重原子数：
  59.0
• 可旋转键数：
  3.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.17
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  反应 0.03h， 生成
  参考文献：
  名称：

  Photochromism of tetrahydroindolizines. Part XIV: synthesis of cis-fixed conjugated photochromic pyridazinopyrrolo[1,2-b]isoquinolines incorporating carbon-rich linkers

  摘要：

  New carbon-rich photochromic tetrahydroindolizines (THIs) bearing dihydroisoquinoline derivatives as heterocyclic bases (region B) have been synthesized via different chemical and photochemical pathways. Three alternative pathways for the synthesis of the target photochromic THI-based pyridazinopyrrolo-[1,2-b]isoquinolines via in situ trapping with hydrazine hydrate have been established. In order to obtain high product yields, different Sonogashira-mediated coupling reactions have been optimized. Low temperature multichannel UV-vis and flash photolysis techniques were used to detect the photochromic and kinetic properties of the synthesized system. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.078
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Photochromism of tetrahydroindolizines. Part XIV: synthesis of cis-fixed conjugated photochromic pyridazinopyrrolo[1,2-b]isoquinolines incorporating carbon-rich linkers

  摘要：

  New carbon-rich photochromic tetrahydroindolizines (THIs) bearing dihydroisoquinoline derivatives as heterocyclic bases (region B) have been synthesized via different chemical and photochemical pathways. Three alternative pathways for the synthesis of the target photochromic THI-based pyridazinopyrrolo-[1,2-b]isoquinolines via in situ trapping with hydrazine hydrate have been established. In order to obtain high product yields, different Sonogashira-mediated coupling reactions have been optimized. Low temperature multichannel UV-vis and flash photolysis techniques were used to detect the photochromic and kinetic properties of the synthesized system. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.078