methyl 4-[4-(3-methylphenyl)piperazin-1-yl]benzoate | 1037522-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 4-[4-(3-methylphenyl)piperazin-1-yl]benzoate
• 英文别名: Methyl 4-[4-(3-methylphenyl)piperazin-1-yl]benzoate
• CAS: 1037522-32-9
• 化学式: C₁₉H₂₂N₂O₂
• 分子量: 310.396
• InChiKey: WLCOTNRCVFUFLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3-（甲基苯基）哌啶 、 对氯苯甲酸甲酯 在 palladium diacetate 氢氧化钾 、 2-(二环己基膦基)联苯 作用下， 以 水 、 甲苯 为溶剂， 反应 0.5h， 以68%的产率得到methyl 4-[4-(3-methylphenyl)piperazin-1-yl]benzoate
  参考文献：
  名称：

  Study of the microwave-assisted hydrolysis of nitriles and esters and the implementation of this system in rapid microwave-assisted Pd-catalyzed amination

  摘要：

  Microwave-assisted hydrolysis of benzonitriles and methyl benzoates has been studied using a toluene/concd aq KOH two phase system in the presence and absence of phase transfer catalyst. Conditions to allow and avoid smooth hydrolysis could be identified. Based on the latter, the first microwave protocol which allows the rapid Pd-catalyzed amination of aliphatic amines with chlorobenzenes containing sensitive functional groups has been developed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.028

文献信息

• Study of the microwave-assisted hydrolysis of nitriles and esters and the implementation of this system in rapid microwave-assisted Pd-catalyzed amination
  作者：Gitte Van Baelen、Bert U.W. Maes

  DOI：10.1016/j.tet.2008.03.028

  日期：2008.6

  Microwave-assisted hydrolysis of benzonitriles and methyl benzoates has been studied using a toluene/concd aq KOH two phase system in the presence and absence of phase transfer catalyst. Conditions to allow and avoid smooth hydrolysis could be identified. Based on the latter, the first microwave protocol which allows the rapid Pd-catalyzed amination of aliphatic amines with chlorobenzenes containing sensitive functional groups has been developed. (c) 2008 Elsevier Ltd. All rights reserved.