3-(N-piperidinecarbamoyl)-2,2,5,5-tetramethyl-1H-3-pyrroline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(N-piperidinecarbamoyl)-2,2,5,5-tetramethyl-1H-3-pyrroline
• 英文别名: 1-(2,2,5,5-tetramethyl-2,5-dihydro-pyrrole-3-carbonyl)-piperidine；1-(2,2,5,5-Tetramethyl-2,5-dihydro-pyrrol-3-carbonyl)-piperidin；piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
• 化学式: C₁₄H₂₄N₂O
• 分子量: 236.357
• InChiKey: WWDXJSJOPZNCAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(N-piperidinecarbamoyl)-2,2,5,5-tetramethyl-1H-3-pyrroline 在 sodium tungstate dihydrate 、 双氧水 、 dipotassium ethylene diamine tetracetate 作用下， 以 水 为溶剂， 以90%的产率得到3-(N-piperidinecarbamoyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline
  参考文献：
  名称：

  An efficient synthesis of 3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline, a promising radioprotector for cancer radiotherapy

  摘要：

  Nitroxides can ameliorate the toxic effects of radiation during cancer therapy. Nitroxides are paramagnetic and can be used in magnetic resonance imaging (MRI) and electron paramagnetic resonance imaging (EPRI) to monitor in vivo oxidative stress status. Compound 5 (3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline) was found to be the most effective nitroxide radioprotector. An efficient synthesis for this promising radioprotector was developed. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2014.08.028
• 作为产物：
  描述：

  四甲基哌啶酮 在 溴 、 溶剂黄146 、 三乙胺 作用下， 以 水 为溶剂， 反应 6.0h， 生成 3-(N-piperidinecarbamoyl)-2,2,5,5-tetramethyl-1H-3-pyrroline
  参考文献：
  名称：

  An efficient synthesis of 3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline, a promising radioprotector for cancer radiotherapy

  摘要：

  Nitroxides can ameliorate the toxic effects of radiation during cancer therapy. Nitroxides are paramagnetic and can be used in magnetic resonance imaging (MRI) and electron paramagnetic resonance imaging (EPRI) to monitor in vivo oxidative stress status. Compound 5 (3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline) was found to be the most effective nitroxide radioprotector. An efficient synthesis for this promising radioprotector was developed. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2014.08.028

文献信息

• Pauly; Boehm, Chemische Berichte, 1900, vol. 33, p. 922
  作者：Pauly、Boehm

  DOI：——

  日期：——
• An efficient synthesis of 3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline, a promising radioprotector for cancer radiotherapy
  作者：Haitao Wu、Vincent Coble、Olga Vasalatiy、Rolf E. Swenson、Murali C. Krishna、James B. Mitchell

  DOI：10.1016/j.tetlet.2014.08.028

  日期：2014.10

  Nitroxides can ameliorate the toxic effects of radiation during cancer therapy. Nitroxides are paramagnetic and can be used in magnetic resonance imaging (MRI) and electron paramagnetic resonance imaging (EPRI) to monitor in vivo oxidative stress status. Compound 5 (3-(N-piperidinemethyl)-2,2,5,5-tetramethyl-1-oxy-3-pyrroline) was found to be the most effective nitroxide radioprotector. An efficient synthesis for this promising radioprotector was developed. Published by Elsevier Ltd.