3-[2-(4-苯基-1-哌嗪基)乙基]吲哚 | 4366-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-[2-(4-苯基-1-哌嗪基)乙基]吲哚
• 英文名称: 3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
• 英文别名: 3-[2-(4-phenyl-piperazin-1-yl)-ethyl]-indole；1H-Indole, 3-(2-(4-phenyl-1-piperazinyl)ethyl)-；3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
• CAS: 4366-55-6
• 化学式: C₂₀H₂₃N₃
• 分子量: 305.423
• InChiKey: IPWVMIXDMGMNDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  22.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 、 4,9-Dihydropyrano<3,4-b>indol-1(3H)-on 反应 12.0h， 生成 3-[2-(4-苯基-1-哌嗪基)乙基]吲哚
  参考文献：
  名称：

  Investigations into the mechanism of lactamization of lactones yielding in a novel route to biologically active tryptamine derivatives

  摘要：

  The mechanism of lactamization of corresponding lactones was investigated by means of gas chromatography and synthesis of possible intermediates as references. Lactones react with amines via the amino acid with subsequent elimination of water to the corresponding lactams. In the first step, also hydroxyamides are in equilibrium with the lactones and amines, respectively, which are not able to form the amide though. This mechanism opens a new approach for the synthesis of N-beta-disubstituted tryptamines. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.03.073