1-甲基-4-(2-甲基-1-丙烯-1-基)哌嗪 | 22439-99-2

• 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: 1-甲基-4-(2-甲基-1-丙烯-1-基)哌嗪
• 英文名称: 1-methyl-4-(2-methyl-1-propenyl)piperazine
• 英文别名: 1-methyl-4-(2-methylprop-1-en-1-yl)piperazine；1-Methyl-4-(2-methyl-propenyl)-piperazin, N-Methyl-N'-(2-methyl-propenyl-(1))-piperazin；1-Methyl-4-(2-methyl-propenyl)-piperazin；1-methyl-4-(2-methyl-propenyl)-piperazine；Piperazine, 1-methyl-4-(2-methylpropenyl)-；1-methyl-4-(2-methylprop-1-enyl)piperazine
• CAS: 22439-99-2
• 化学式: C₉H₁₈N₂
• 分子量: 154.255
• InChiKey: JUQKCOKNRKFMRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-4-(2-甲基-1-丙烯-1-基)哌嗪 、 3-(6-Bromo-4-oxochromen-3-yl)prop-2-enoic acid 在 三乙胺 、 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 10.0h， 以56%的产率得到C₂₀H₂₅BrN₂O₂*2ClH
  参考文献：
  名称：

  Synthesis and Anticholinesterase Activity of 3-{[4-Methyl-3-(4-methylpiperazin-1-yl)]pent-1-en-1-yl}-4H-chromen-4-ones

  摘要：

  A procedure has been developed and optimized for the synthesis of 3-{[4-methyl-3-(4-methylpiperazin-1-yl)]pent-1-en-1-yl}-4H-chromen-4-ones (as dihydrochlorides) by an unusual version of the Morita-Baylis-Hillman reaction. A number of the title compounds with various substituents in the chromene fragment and their deamination products have been synthesized, and their inhibitory activity against butyrylcholinesterase has been studied.

  DOI：

  10.1134/s1070363219120235

文献信息

• A One-Pot Regiospecific Synthesis of Highly Functionalized 1,4-Benzodioxin Derivatives from an Electrochemically Induced Diels−Alder Reaction
  作者：Daiwang Xu、Angèle Chiaroni、Martine Largeron

  DOI：10.1021/ol052146e

  日期：2005.11.1

  [reaction: see text] The anodic oxidation of pyrogallol derivatives produces chemically unstable o-quinone heterodienes, which are trapped in situ by enamine dienophiles through regiospecific inverse-electron-demand Diels-Alder reactions. The possibility of introducing variations in both cycloaddition partners gives rise to highly substituted 1,4-benzodioxin cycloadducts with up to five elements of

  [反应：见正文]邻苯三酚衍生物的阳极氧化产生化学上不稳定的邻醌杂二烯，其通过区域特异性反电子需求的Diels-Alder反应被烯胺二烯亲和体原位捕获。在两个环加成伙伴中引入变异的可能性产生了具有多达五个多样性元素的高度取代的1,4-苯并二恶英环加合物。反应在温和的条件下以良好的效率进行。该方法应该适合于生物学相关的杂环文库的组装。
• Novel Synthesis of Dihydrothiophene-2,5-diimine Derivatives by the Three-Component Reaction of Isocyanides with Enamines and Arylisothiocyanates
  作者：Maxim A. Mironov、Maria N. Ivantsova、Maria I. Tokareva、Vladimir S. Mokrushin

  DOI：10.3987/com-07-s(u)33

  日期：——
• Synthesis and Anticholinesterase Activity of 3-{[4-Methyl-3-(4-methylpiperazin-1-yl)]pent-1-en-1-yl}-4H-chromen-4-ones
  作者：P. V. Filippova、N. M. Chernov、R. V. Shutov、I. P. Yakovlev

  DOI：10.1134/s1070363219120235

  日期：2019.12

  A procedure has been developed and optimized for the synthesis of 3-[4-methyl-3-(4-methylpiperazin-1-yl)]pent-1-en-1-yl}-4H-chromen-4-ones (as dihydrochlorides) by an unusual version of the Morita-Baylis-Hillman reaction. A number of the title compounds with various substituents in the chromene fragment and their deamination products have been synthesized, and their inhibitory activity against butyrylcholinesterase has been studied.

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