ethyl N-[[phenyl(pyridin-3-yl)methylidene]amino]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl N-[[phenyl(pyridin-3-yl)methylidene]amino]carbamate
• 化学式: C₁₅H₁₅N₃O₂
• 分子量: 269.303
• InChiKey: KPGCXRVKTXNWNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl N-[[phenyl(pyridin-3-yl)methylidene]amino]carbamate 在 次氯酸叔丁酯 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以80%的产率得到(chloro-phenyl-pyridin-3-yl-methyl)-ethoxycarbonyl-diazene
  参考文献：
  名称：

  Synthesis and Reactions of 1-Azo-2-azonia-allene Salts Derived from Pyridine Derivatives

  摘要：

  The 1-aza-2-azonia-allene salts prepared from 3-acetyl- or 3-benzoyl-pyridine via the corresponding hydrazone and alpha-chloroaryl-azo derivatives react with propionitrile to afford the corresponding 3-(3-pyridyl)-1,2,4-triazolium salts. The intramolecular cyclization products could be only isolated as the main products if the intermediate alpha-chlorophenyl-azo derivatives prepared from 4-benzoyl pyridine were treated with SbCl5 in presence or absence of propionitrile. Also, only 3-methyl-1,2,3-triazolo[1,5-a]pyridinium salts were obtained by reaction of the cumulene prepared from 2-acetyl-pyridine with or without propionitrile in good yields. Treatment of 3-pyridylindazolium hexachloroantimonates and 3-methyl-1,2,3-triazolo[1,5-a]pyridinium salts with Na2CO3 gave 3-pyridylindazoles and 3-methyl-1,2,3-triazolo[1,5-a]pyridine.

  DOI：

  10.1007/pl00010141
• 作为产物：
  描述：

  3-苯甲酰基吡啶 、 肼基甲酸乙酯 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以90%的产率得到ethyl N-[[phenyl(pyridin-3-yl)methylidene]amino]carbamate
  参考文献：
  名称：

  Synthesis and Reactions of 1-Azo-2-azonia-allene Salts Derived from Pyridine Derivatives

  摘要：

  The 1-aza-2-azonia-allene salts prepared from 3-acetyl- or 3-benzoyl-pyridine via the corresponding hydrazone and alpha-chloroaryl-azo derivatives react with propionitrile to afford the corresponding 3-(3-pyridyl)-1,2,4-triazolium salts. The intramolecular cyclization products could be only isolated as the main products if the intermediate alpha-chlorophenyl-azo derivatives prepared from 4-benzoyl pyridine were treated with SbCl5 in presence or absence of propionitrile. Also, only 3-methyl-1,2,3-triazolo[1,5-a]pyridinium salts were obtained by reaction of the cumulene prepared from 2-acetyl-pyridine with or without propionitrile in good yields. Treatment of 3-pyridylindazolium hexachloroantimonates and 3-methyl-1,2,3-triazolo[1,5-a]pyridinium salts with Na2CO3 gave 3-pyridylindazoles and 3-methyl-1,2,3-triazolo[1,5-a]pyridine.

  DOI：

  10.1007/pl00010141