| 1587705-51-8

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1587705-51-8
• 化学式: C₆₁H₅₀N₂O₂Si₂
• 分子量: 899.251
• InChiKey: DNVBEEOUAFHEJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.33
• 重原子数：
  67.0
• 可旋转键数：
  3.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  在 肼 作用下， 以 乙醇 为溶剂， 生成 4-[2',7'-Bis[2-(4-ethynylphenyl)ethynyl]-12,15-dimethylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]-1-yl]benzonitrile
  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：

  、 4-(trimethylsilylethynyl)phenylacetylene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 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