3,5-di-(1-pyrrolidinyl)-toluene | 28495-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3,5-di-(1-pyrrolidinyl)-toluene
• 英文别名: 3,5-Dipyrrolidyltoluol；1,1'-(5-methyl-m-phenylene)-bis-pyrrolidine；1,1'-(5-Methylbenzene-1,3-diyl)dipyrrolidine；1-(3-methyl-5-pyrrolidin-1-ylphenyl)pyrrolidine
• CAS: 28495-03-6
• 化学式: C₁₅H₂₂N₂
• 分子量: 230.353
• InChiKey: XKBNZVZNWORBKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 3,5-二溴甲苯 在 bromopalladium(1+);N'-(naphthalen-1-ylmethylideneamino)carbamimidothioate;triphenylphosphane 、 potassium carbonate 作用下， 以 仲丁醇 为溶剂， 反应 24.0h， 以75.8%的产率得到3,5-di-(1-pyrrolidinyl)-toluene
  参考文献：
  名称：

  Synthesis and structural characterization of palladium(II) thiosemicarbazone complex: application to the Buchwald–Hartwig amination reaction

  摘要：

  A simple route to synthesize mononuclear palladium(II) thiosemicarbazone complex has been described. Elemental analysis, spectral methods and single crystal X-ray diffraction analysis were used to confirm the composition of the complex. The new complex acts as an active homogeneous catalyst for the Buchwald-Hartwig amination reaction of a wide range of aryl and heteroaryl halides (bromides and chlorides), including activating, neutral and deactivating substrates, with various secondary amines under optimized conditions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.070