1,2,3,6-tetrahydro-6-hydroxy-2,3,6-trimethyl-5-phenyl-1,2,4-triazine | 146354-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1,2,3,6-tetrahydro-6-hydroxy-2,3,6-trimethyl-5-phenyl-1,2,4-triazine
• 英文别名: 2,3,6-Trimethyl-5-phenyl-1,3-dihydro-1,2,4-triazin-6-ol
• CAS: 146354-09-8
• 化学式: C₁₂H₁₇N₃O
• 分子量: 219.286
• InChiKey: JBZVARFFRZOKGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6,7-dihydro-1,3-dimethyl-4-phenyl-1H-1,2,5-triazepine 以27%的产率得到
  参考文献：
  名称：

  Shibamoto Shinji, J. Chem. Soc. Perkin Trans, (1992) N 23, S 3233-3236

  摘要：

  DOI：

文献信息

• Base-catalysed ring contraction of 6,7-dihydro-1-methyl-1H-1,2,5-triazepines to 2,3-dimethyl-1,2,4-triazines
  作者：Shinji Shibamoto

  DOI：10.1039/p19920003233

  日期：——

  6,7-Dihydro-1-methyl-1H-1,2,5-triazepines 3-5 and 8 in ethanolic sodium hydroxide have been converted into one or two compounds of the following types: 1,2,3,6-tetrahydro-6-hydroxy-, 1,2-dihydro- and 2,3-dihydro-2,3-dimethyl-1,2,4-triazines 10-16. In contrast, 1,6-dimethyl analogues are converted into the corresponding 2,3-dihydro-2,3,3-trimethyl-1,2,4-triazines 17-19 under similar conditions. Since alkali hydroxide is essential to the present ring contraction it is likely that it proceeds via a 3-hydroxylated anion formed by hydroxide attack on the 3-position of triazepines 3-9. 1,2,3,6-Tetrahydro-6-hydroxy-2,3-dimethyl-1,2,4-triazines 10-12 are found to be precursors to the 1,2-dihydro-2,3-dimethyl-1,2,4-triazines 13-15.
• Shibamoto Shinji, J. Chem. Soc. Perkin Trans, (1992) N 23, S 3233-3236
  作者：Shibamoto Shinji

  DOI：——

  日期：——