1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine-3-oxide | 65483-73-0

• 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: 1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine-3-oxide
• 英文别名: 2,2,4,6,6-pentamethyl-3-oxy-5,6-dihydro-2H-pyrimidin-1-ol；3-hydroxy-2,2,4,4,6-pentamethyl-1-oxido-5H-pyrimidin-1-ium
• CAS: 65483-73-0
• 化学式: C₉H₁₈N₂O₂
• 分子量: 186.254
• InChiKey: VVSUXRYOGCNBTC-UHFFFAOYSA-N

物化性质

• 沸点：
  301.1±45.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  13
• 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：
  52.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine-3-oxide 生成 2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyridine-3-oxide-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
• 作为产物：
  描述：

  N-(4-Hydroxyimino-2-methyl-2-pentyl)hydroxylamin 在 氧气 作用下， 生成 1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine-3-oxide
  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

• Dikanov, S. A.; Grigor'ev, I. A.; Volodarskii, L. B., Russian Journal of Physical Chemistry, 1982, vol. 56, # 11, p. 1696 - 1699
  作者：Dikanov, S. A.、Grigor'ev, I. A.、Volodarskii, L. B.、Tsvetkov, Yu. D.

  DOI：——

  日期：——
• Synthesis of acetonine nitroxide radical and 1-hydroxy-2,2,4,6,6-pentamethyl-1,2,5,6-tetrahydropyrimidine
  作者：Leonid Volodarsky、Vilen Kosover

  DOI：10.1016/s0040-4039(99)02049-3

  日期：2000.1

  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.