2,2,4,6,6-pentamethyl-1,2,5,6-tetrahdyro-pyridmidine-1-oxyl | 213180-19-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahdyro-pyridmidine-1-oxyl
• CAS: 213180-19-9
• 化学式: C₉H₁₇N₂O
• 分子量: 169.247
• InChiKey: GFIGPZPTTLEOFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  16.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,4,6,6-pentamethyl-1,2,5,6-tetrahdyro-pyridmidine-1-oxyl 在 肼 作用下， 以 乙醚 为溶剂， 以50%的产率得到2,2,4,6,6-五甲基-5,6-二氢-1(2H)-嘧啶醇
  参考文献：
  名称：

  Synthesis of acetonine nitroxide radical and 1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine

  摘要：

  An oxidation of acetonine with hydrogen peroxide 30% in strong basic water media in the presence of sodium tungstate with subsequent reduction of reaction product with hydrazine hydrate afforded up to 50% yields of the title hydroxyderivative. Mild oxidation of this compound with MnO2 in ether gave acetonine nitroxide radical quantitatively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02049-3
• 作为产物：
  描述：

  2,2,4,4,6-五甲基-2,3,4,5-四氢嘧啶 在 sodium tungstate 、 双氧水 作用下， 以50%的产率得到2,2,4,6,6-pentamethyl-1,2,5,6-tetrahdyro-pyridmidine-1-oxyl
  参考文献：
  名称：

  Synthesis of acetonine nitroxide radical and 1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine

  摘要：

  An oxidation of acetonine with hydrogen peroxide 30% in strong basic water media in the presence of sodium tungstate with subsequent reduction of reaction product with hydrazine hydrate afforded up to 50% yields of the title hydroxyderivative. Mild oxidation of this compound with MnO2 in ether gave acetonine nitroxide radical quantitatively. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02049-3

文献信息

• A new nitroxide radical derived from 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydro-pyrimidine and its conversion to 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydro-pyrimidine-1-oxyl
  作者：Wen-li Huang、Robert Chiarelli、André Rassat

  DOI：10.1016/s0040-4039(00)01557-4

  日期：2000.11

  The new oxaziridine nitroxide, 2,2,4,4,6-pentamethyl-7-oxa-1,3-diaza-bicyclo[4. 1.0]heptan-3-oxyl, has been obtained in 90% yield by oxidation of 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydro-pyrimidine with MCPBA in ether. This nitroxide is stable in the solid state or in non-protic solvents. It was converted to the known 2,2,4,6,6-pentamethyl-1,2, 5,6-tetrahydro-pyrimidine-1-oxyl by successive reduction with LiAlH4 and oxidation with Ag2O, with a reproducible yield of 16% from the starting tetra-hydropyrimidine. (C) 2000 Elsevier Science Ltd. All rights reserved.