4-(4-氨基-苯基)-哌嗪-1-甲醛 | 1017794-34-1

• 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: 4-(4-氨基-苯基)-哌嗪-1-甲醛
• 英文名称: 1-(4-Aminophenyl)-4-formylpiperazine
• 英文别名: 4-(4-aminophenyl)piperazine-1-carbaldehyde
• CAS: 1017794-34-1
• 化学式: C₁₁H₁₅N₃O
• 分子量: 205.26
• InChiKey: JVOBBVGYFCRAKG-UHFFFAOYSA-N

物化性质

• 沸点：
  462.1±40.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-氨基-苯基)-哌嗪-1-甲醛 在 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023
• 作为产物：
  描述：

  1-甲醛哌嗪 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 二甲基亚砜 为溶剂， 反应 15.0h， 生成 4-(4-氨基-苯基)-哌嗪-1-甲醛
  参考文献：
  名称：

  Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives

  摘要：

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.023

文献信息

• Novel potent neuropeptide Y Y5 receptor antagonists: Synthesis and structure–activity relationships of phenylpiperazine derivatives
  作者：Toshiyuki Takahashi、Aya Sakuraba、Tomoko Hirohashi、Takunobu Shibata、Masaaki Hirose、Yuji Haga、Katsumasa Nonoshita、Tetsuya Kanno、Junko Ito、Hisashi Iwaasa、Akio Kanatani、Takehiro Fukami、Nagaaki Sato

  DOI：10.1016/j.bmc.2006.07.023

  日期：2006.11

  A series of phenylpiperazine derivatives were synthesized and evaluated for their neuropeptide Y (NPY) Y5 receptor antagonistic activities. The benzindane portion of 2 was replaced by I-phenylpiperazine, resulting in novel urea derivative X Subsequent optimization of the phenylpiperazine template by substitution of the phenyl moiety resulted in a series of (2-methanesulfonamidephenyl)piperazine derivatives that showed potent binding affinity and antagonistic activity for the Y5 receptor. (c) 2006 Elsevier Ltd. All rights reserved.