2-methyl-4-chloro-5-<4-(2-phenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone | 153276-43-8

• 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: 2-methyl-4-chloro-5-<4-(2-phenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone
• 英文别名: 4-Chloro-2-methyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]pyridazin-3-one
• CAS: 153276-43-8
• 化学式: C₁₇H₂₁ClN₄O₂
• 分子量: 348.832
• InChiKey: SJCNMDYHMSFRTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-4-chloro-5-<4-(2-phenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 甲醇 为溶剂， 以50%的产率得到2-methyl-5-<4-(2-phenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone
  参考文献：
  名称：

  New pyridazinones: synthesis and correlation between structure and α-blocking activity

  摘要：

  The synthesis of a series of 5-(4-piperazinyl)-3(2H)-pyridazinone has been reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoreceptors of isolated rat vas deferens.

  DOI：

  10.1016/0223-5234(93)90097-x
• 作为产物：
  描述：

  4,5-二氯-2-甲基哒嗪-3-酮 在 sodium carbonate 、 三乙胺 作用下， 以 乙醇 、 异戊醇 为溶剂， 反应 4.0h， 生成 2-methyl-4-chloro-5-<4-(2-phenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone
  参考文献：
  名称：

  New pyridazinones: synthesis and correlation between structure and α-blocking activity

  摘要：

  The synthesis of a series of 5-(4-piperazinyl)-3(2H)-pyridazinone has been reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoreceptors of isolated rat vas deferens.

  DOI：

  10.1016/0223-5234(93)90097-x

文献信息

• Novel and highly selective postsynaptic α-adrenoreceptor antagonists: synthesis and structure-activity relationships of alkane-bridged [4-(phenoxyethyl)-1-piperazinyl]-3(2H)-pyridazinones
  作者：S Corsano、R Scapicchi、G Strappaghetti、G Marucci、F Paparelli

  DOI：10.1016/0223-5234(96)88211-0

  日期：1995.1

  The synthesis of selected 4-[4-(phenoxyethyl)-1-piperazinyl]-3(2H)-pyridazinones and alkane-bridged dimers of 4-, 5- and 6-[4-(phenoxyethyl)-1-piperazinyl]-3(2H)-pyridazinones is reported, The blocking activity of these compounds was determined on the pre- and postsynaptic a-adrenoreceptors of isolated rat vas deferens.