[3-(1-Benzyl-4-indol-1-yl-2,5-dioxopyrrol-3-yl)pyridin-2-yl] trifluoromethanesulfonate | 918898-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [3-(1-Benzyl-4-indol-1-yl-2,5-dioxopyrrol-3-yl)pyridin-2-yl] trifluoromethanesulfonate
• 英文别名: [3-(1-benzyl-4-indol-1-yl-2,5-dioxopyrrol-3-yl)pyridin-2-yl] trifluoromethanesulfonate
• CAS: 918898-26-7
• 化学式: C₂₅H₁₆F₃N₃O₅S
• 分子量: 527.48
• InChiKey: MWRXJGNEVZIUGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [3-(1-Benzyl-4-indol-1-yl-2,5-dioxopyrrol-3-yl)pyridin-2-yl] trifluoromethanesulfonate 在 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以100%的产率得到N-benzyl pyrido[3,2-e]-2,10b-diaza-cyclopenta[c]fluorene-1,3-dione
  参考文献：
  名称：

  Synthesis and cyclometalation of a pyrido[3,2-e]-2,10b-diaza-cyclopenta[c]fluorene-1,3-dione scaffold

  摘要：

  The synthesis of a pyrido[3,2-e]-2, 10b-diaza-cyclopenta[c]fluorene-1, 3-dione scaffold is disclosed, which was synthesized using a Suzuki cross-coupling reaction and an intramolecular Heck cyclization as the key steps. This heterocyclic system can serve as a bidentate ligand as demonstrated by the formation and structural analysis of a derived ruthenium complex. The new scaffold constitutes an interesting candidate for the development of organometallic protein kinase inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.054
• 作为产物：
  描述：

  1-benzyl-3-bromo-4-(1H-indol-1-yl)-1H-pyrrole-2,5-dione 在 吡啶 、 sodium carbonate 、 叔丁基二甲基氯硅烷 、 三苯基膦 、 sodium iodide 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 20.0h， 生成 [3-(1-Benzyl-4-indol-1-yl-2,5-dioxopyrrol-3-yl)pyridin-2-yl] trifluoromethanesulfonate
  参考文献：
  名称：

  Synthesis and cyclometalation of a pyrido[3,2-e]-2,10b-diaza-cyclopenta[c]fluorene-1,3-dione scaffold

  摘要：

  The synthesis of a pyrido[3,2-e]-2, 10b-diaza-cyclopenta[c]fluorene-1, 3-dione scaffold is disclosed, which was synthesized using a Suzuki cross-coupling reaction and an intramolecular Heck cyclization as the key steps. This heterocyclic system can serve as a bidentate ligand as demonstrated by the formation and structural analysis of a derived ruthenium complex. The new scaffold constitutes an interesting candidate for the development of organometallic protein kinase inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.054