1,3,5-Tris-(2-bromo-phenyl)-[1,3,5]triazinane-2,4,6-trione | 666263-39-4

• 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: 1,3,5-Tris-(2-bromo-phenyl)-[1,3,5]triazinane-2,4,6-trione
• 英文别名: 1,3,5-Tris(2-bromophenyl)-1,3,5-triazinane-2,4,6-trione；1,3,5-tris(2-bromophenyl)-1,3,5-triazinane-2,4,6-trione
• CAS: 666263-39-4
• 化学式: C₂₁H₁₂Br₃N₃O₃
• 分子量: 594.057
• InChiKey: GEKQAZZMBKDWHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸2-溴苯酯 以 二氯甲烷 为溶剂， 反应 100.0h， 生成 1,3,5-Tris-(2-bromo-phenyl)-[1,3,5]triazinane-2,4,6-trione
  参考文献：
  名称：

  摘要：

  The reactions of meta-para-substituted aryl isocyanates with phosphorus-containing 1,3-zwitterions, which proceed with the C-->N migration of the CO2Et group to form the corresponding carbamates, were extended to ortho-substituted aryl isocyanates. The influence of the steric and electronic effects of the ortho substituents in the aromatic rings of aryl isocyanates on the ease of this rearrangement is qualitatively considered.

  DOI：

  10.1023/a:1023427403905

文献信息

• ——
  作者：Yu. G. Gololobov

  DOI：10.1023/a:1023427403905

  日期：——

  The reactions of meta-para-substituted aryl isocyanates with phosphorus-containing 1,3-zwitterions, which proceed with the C-->N migration of the CO2Et group to form the corresponding carbamates, were extended to ortho-substituted aryl isocyanates. The influence of the steric and electronic effects of the ortho substituents in the aromatic rings of aryl isocyanates on the ease of this rearrangement is qualitatively considered.