4-(pyridin-3-ylmethyl)thiomorpholine | 414872-82-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(pyridin-3-ylmethyl)thiomorpholine
• 英文别名: 4-[(Pyridin-3-yl)methyl]thiomorpholine
• CAS: 414872-82-5
• 化学式: C₁₀H₁₄N₂S
• 分子量: 194.301
• InChiKey: REQRKJSLOSQBHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氯吡啶 、 N-(trifluoroboratomethyl)thiomorpholine internal salt 在 palladium diacetate 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 45.0h， 以39%的产率得到4-(pyridin-3-ylmethyl)thiomorpholine
  参考文献：
  名称：

  Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki−Miyaura Cross-Coupling Reactions

  摘要：

  A reinvestigation into the chemical composition of potassium aminomethyltrifluoroborates is reported. These trifluoroborato salts have been reassigned as zwitterionic ammoniomethyltrifluoroborates. Minor adjustments to the previously disclosed reaction conditions are reported that permit a similar level of activity as nucleophiles in Suzuki-Miyaura cross-coupling reactions.

  DOI：

  10.1021/jo2001066

文献信息

• Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki−Miyaura Cross-Coupling Reactions
  作者：Jessica Raushel、Deidre L. Sandrock、Kanth V. Josyula、Deborah Pakyz、Gary A. Molander

  DOI：10.1021/jo2001066

  日期：2011.4.15

  A reinvestigation into the chemical composition of potassium aminomethyltrifluoroborates is reported. These trifluoroborato salts have been reassigned as zwitterionic ammoniomethyltrifluoroborates. Minor adjustments to the previously disclosed reaction conditions are reported that permit a similar level of activity as nucleophiles in Suzuki-Miyaura cross-coupling reactions.