N-<α-Isopropoxyl-α-(naphth-1-yl)methyl>benzotriazole | 172611-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-<α-Isopropoxyl-α-(naphth-1-yl)methyl>benzotriazole
• 英文别名: 1-[Naphthalen-1-yl(propan-2-yloxy)methyl]-1H-1,2,3-benzotriazole；1-[naphthalen-1-yl(propan-2-yloxy)methyl]benzotriazole
• CAS: 172611-16-4
• 化学式: C₂₀H₁₉N₃O
• 分子量: 317.39
• InChiKey: YNHJSGVSZUAZIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-methylbenzylidene)-4-methylaniline 、 N-<α-Isopropoxyl-α-(naphth-1-yl)methyl>benzotriazole 在 正丁基锂 作用下， 生成 2-(1-Naphthyl)-3,4-di(p-tolyl)-3H,4H-quinazoline
  参考文献：
  名称：

  A Novel o-Iminophenyl Anion Route to Heterocycles and Ortho-Substituted Anilines

  摘要：

  Ring opening of lithio derivatives of N-(alpha-alkoxyalkyl)benzotriazoles 9 and 22 and subsequent extrusion of nitrogen at -78 degrees C gave novel o-iminophenyl anions which enable synthetically useful preparations of ortho-substituted anilines (19 and 25) and of benzoheterocycles (14, 20, 21, 24, and 26).

  DOI：

  10.1021/jo00128a040
• 作为产物：
  描述：

  T406石油添加剂 、 1-萘甲醛 、 异丙醇 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 5.0h， 以56%的产率得到N-<α-Isopropoxyl-α-(naphth-1-yl)methyl>benzotriazole
  参考文献：
  名称：

  A Novel o-Iminophenyl Anion Route to Heterocycles and Ortho-Substituted Anilines

  摘要：

  Ring opening of lithio derivatives of N-(alpha-alkoxyalkyl)benzotriazoles 9 and 22 and subsequent extrusion of nitrogen at -78 degrees C gave novel o-iminophenyl anions which enable synthetically useful preparations of ortho-substituted anilines (19 and 25) and of benzoheterocycles (14, 20, 21, 24, and 26).

  DOI：

  10.1021/jo00128a040

文献信息

• A Novel o-Iminophenyl Anion Route to Heterocycles and Ortho-Substituted Anilines
  作者：Alan R. Katritzky、Guifen Zhang、Jinlong Jiang、Peter J. Steel

  DOI：10.1021/jo00128a040

  日期：1995.11

  Ring opening of lithio derivatives of N-(alpha-alkoxyalkyl)benzotriazoles 9 and 22 and subsequent extrusion of nitrogen at -78 degrees C gave novel o-iminophenyl anions which enable synthetically useful preparations of ortho-substituted anilines (19 and 25) and of benzoheterocycles (14, 20, 21, 24, and 26).