2,2,6,6-tetraethyl-1,2,5,8-tetrahydro-4-methylpyrimidine | 864062-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,2,6,6-tetraethyl-1,2,5,8-tetrahydro-4-methylpyrimidine
• 英文别名: 2,2,6,6-tetraethyl-4-methyl-1,5-dihydropyrimidine
• CAS: 864062-69-1
• 化学式: C₁₃H₂₆N₂
• 分子量: 210.363
• InChiKey: HRZZILVESQSKDV-UHFFFAOYSA-N

物化性质

• 沸点：
  269.3±33.0 °C(Predicted)
• 密度：
  0.91±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.52
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,2,6,6-tetraethyl-1,2,5,8-tetrahydro-4-methylpyrimidine 、 3-戊酮 在 盐酸 、 溴化铵 作用下， 以 甲醇 、 水 为溶剂， 以54%的产率得到2,2,6,6-tetraethylpiperidin-4-one
  参考文献：
  名称：

  Nitroxide-Mediated Polymerization of N-Isopropylacrylamide: Electrospray Ionization Mass Spectrometry, Matrix-Assisted Laser Desorption Ionization Mass Spectrometry, and Multiple-Angle Laser Light Scattering Studies on Nitroxide-Terminated Poly-N-isopropylacrylamides

  摘要：

  Nitroxide-mediated controlled living free radical polymerization of N-isopropylacrylamide using highly sterically hindered 2,2,6,6-tetraethylpiperidin-4-on-N-oxyI 1 is described. In addition, an improved synthesis for nitroxide 1 is presented. Poly-N-isopropylacrylamides (PNIPAMs) prepared are analyzed by multiple-angle laser light scattering. Moreover, the nitroxide-terminated PNIPAMs are characterized using electrospray ionization mass spectrometry, matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS), and Fourier transform ion cyclotron MALDI-MS. Careful MS analysis reveals that chain-end degradation of nitroxide-terminated PNIPAMs occurs during MALDI analysis. A mechanism for chain end degradation is presented.

  DOI：

  10.1021/ma050343n
• 作为产物：
  描述：

  N-(tert-butyloxycarbonyl)-4,4-diethylazetidin-2-one 在 氨 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 2,2,6,6-tetraethyl-1,2,5,8-tetrahydro-4-methylpyrimidine
  参考文献：
  名称：

  Nitroxide-Mediated Polymerization of N-Isopropylacrylamide: Electrospray Ionization Mass Spectrometry, Matrix-Assisted Laser Desorption Ionization Mass Spectrometry, and Multiple-Angle Laser Light Scattering Studies on Nitroxide-Terminated Poly-N-isopropylacrylamides

  摘要：

  Nitroxide-mediated controlled living free radical polymerization of N-isopropylacrylamide using highly sterically hindered 2,2,6,6-tetraethylpiperidin-4-on-N-oxyI 1 is described. In addition, an improved synthesis for nitroxide 1 is presented. Poly-N-isopropylacrylamides (PNIPAMs) prepared are analyzed by multiple-angle laser light scattering. Moreover, the nitroxide-terminated PNIPAMs are characterized using electrospray ionization mass spectrometry, matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS), and Fourier transform ion cyclotron MALDI-MS. Careful MS analysis reveals that chain-end degradation of nitroxide-terminated PNIPAMs occurs during MALDI analysis. A mechanism for chain end degradation is presented.

  DOI：

  10.1021/ma050343n