1-(2-Chloro-2-propen-1-yl)piperazine | 1016887-03-8

• 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: 1-(2-Chloro-2-propen-1-yl)piperazine
• 英文别名: 1-(2-chloroprop-2-enyl)piperazine
• CAS: 1016887-03-8
• 化学式: C₇H₁₃ClN₂
• mdl: MFCD09946237
• 分子量: 160.647
• InChiKey: KZITZLCJLLKSCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-氯苯甲酰)丙酸 、 1-(2-Chloro-2-propen-1-yl)piperazine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 1-[4-(2-Chloro-allyl)-piperazin-1-yl]-4-(4-chloro-phenyl)-butane-1,4-dione; hydrochloride
  参考文献：
  名称：

  1-Alkyl-4-acylpiperazines as a New Class of Imidazole-Free Histamine H₃ Receptor Antagonists

  摘要：

  With the aim of identifying structurally novel, centrally acting histamine H-3 antagonists, arrays of monoacyldiamines were screened. This led to the discovery of a series of 1-alkyl-4-acylpiperazines which were potent antagonists at the human histamine H-3 receptor. The most potent amides had antagonist potencies in the subnanomolar range.

  DOI：

  10.1021/jm031028z
• 作为产物：
  描述：

  4-(2-chloroallyl)piperazine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(2-Chloro-2-propen-1-yl)piperazine
  参考文献：
  名称：

  1-Alkyl-4-acylpiperazines as a New Class of Imidazole-Free Histamine H₃ Receptor Antagonists

  摘要：

  With the aim of identifying structurally novel, centrally acting histamine H-3 antagonists, arrays of monoacyldiamines were screened. This led to the discovery of a series of 1-alkyl-4-acylpiperazines which were potent antagonists at the human histamine H-3 receptor. The most potent amides had antagonist potencies in the subnanomolar range.

  DOI：

  10.1021/jm031028z

文献信息

• 1-Alkyl-4-acylpiperazines as a New Class of Imidazole-Free Histamine H₃ Receptor Antagonists
  作者：Florencio Zaragoza、Henrik Stephensen、Sanne M. Knudsen、Lone Pridal、Birgitte S. Wulff、Karin Rimvall

  DOI：10.1021/jm031028z

  日期：2004.5.1

  With the aim of identifying structurally novel, centrally acting histamine H-3 antagonists, arrays of monoacyldiamines were screened. This led to the discovery of a series of 1-alkyl-4-acylpiperazines which were potent antagonists at the human histamine H-3 receptor. The most potent amides had antagonist potencies in the subnanomolar range.