N-(3-phenylprop-2-yn-1-yl)octan-1-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-phenylprop-2-yn-1-yl)octan-1-amine
• 英文别名: N-(3-phenylprop-2-ynyl)octan-1-amine
• 化学式: C₁₇H₂₅N
• mdl: MFCD07410649
• 分子量: 243.392
• InChiKey: GTYZKNHQLWYIBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.529
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(3-phenylprop-2-yn-1-yl)octan-1-amine 在 silver(I) nitrite 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到1-octyl-3-phenyl-1H-pyrazole 2-oxide
  参考文献：
  名称：

  AgNO₂ as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines

  摘要：

  A straightforward method for synthesizing the pyrazole N-oxides from N-propargylamines and AgNO2, through oxidation/cyclization reaction had been developed. AgNO2, was used as the NO source for the first time to synthesize pyrazole N-oxides. Various substituted groups on N-propargylamines proceeded smoothly, and the desired products were obtained in good yields.

  DOI：

  10.1021/acs.orglett.6b03021
• 作为产物：
  描述：

  N-n-octylprop-2-yn-1-amine 、 碘苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 6.0h， 生成 N-(3-phenylprop-2-yn-1-yl)octan-1-amine
  参考文献：
  名称：

  AgNO₂ as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines

  摘要：

  A straightforward method for synthesizing the pyrazole N-oxides from N-propargylamines and AgNO2, through oxidation/cyclization reaction had been developed. AgNO2, was used as the NO source for the first time to synthesize pyrazole N-oxides. Various substituted groups on N-propargylamines proceeded smoothly, and the desired products were obtained in good yields.

  DOI：

  10.1021/acs.orglett.6b03021