4-(2,2,6,6-四甲基哌啶-1-基)苯甲腈 | 923031-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(2,2,6,6-四甲基哌啶-1-基)苯甲腈
• 英文名称: 4-(2,2,6,6-tetramethyl-piperidin-1-yl)-benzonitrile
• 英文别名: 4-(2,2,6,6-tetramethylpiperidin-1-yl)benzonitrile；4-(2,2,6,6-Tetramethylpiperidin-1-yl)benzonitrile
• CAS: 923031-70-3
• 化学式: C₁₆H₂₂N₂
• 分子量: 242.364
• InChiKey: LBZKODYTZFDRFK-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C
• 沸点：
  363.0±25.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2,6,6-四甲基哌啶 、 4-溴苯腈 以64%的产率得到4-(2,2,6,6-四甲基哌啶-1-基)苯甲腈
  参考文献：
  名称：

  通过多官能芳基和杂芳基酰胺基铜酸酯的氧化偶合，通常制备伯，仲和叔芳基胺。

  摘要：

  DOI：

  10.1002/anie.200603089

文献信息

• Synthesis of N,N-dialkylaminobenzonitriles and halo-(N,N-dialkyl)benzamidines by reaction of halobenzonitriles with lithium amides
  作者：Paola Vitale、Leonardo Di Nunno、Antonio Scilimati

  DOI：10.1016/j.tet.2011.06.066

  日期：2011.9

  3- and 4-N,N-Dialkylaminobenzonitriles and 4-chloro-(N,N-dialkyl)benzamidines were isolated by reacting 4-chlorobenzonitrile with hindered lithium amides under thermodynamic (0 degrees C) and kinetic control conditions (-78 degrees C), respectively. As previously reported, a benzyne mechanism seems to be confirmed since N,N-dialkylaminobenzonitriles are formed. Only benzamidines were isolated in fair to high yields at both 0 degrees C and -78 degrees C with non-hindered lithium amides. Exploitation and mechanistic rationale of the reaction of different halobenzonitriles are also reported. (C) 2011 Elsevier Ltd. All rights reserved.
• General Preparation of Primary, Secondary, and Tertiary Aryl Amines by the Oxidative Coupling of Polyfunctional Aryl and Heteroaryl Amidocuprates
  作者：Vicente del Amo、Srinivas Reddy Dubbaka、Arkady Krasovskiy、Paul Knochel

  DOI：10.1002/anie.200603089

  日期：2006.11.27