Triphenylethylisocyanurat | 25246-65-5

• 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: Triphenylethylisocyanurat
• 英文别名: 1,3,5-Triphenetyl-1,3,5-triazin-2,4,6-trion；1,3,5-triphenethyl-1,3,5-triazinane-2,4,6-trione；Benzyl(methyl)isocyanurate；1,3,5-tris(2-phenylethyl)-1,3,5-triazinane-2,4,6-trione
• CAS: 25246-65-5
• 化学式: C₂₇H₂₇N₃O₃
• 分子量: 441.53
• InChiKey: PAMIQEQJXQPBTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  2-苯乙基异氰酸酯 在 tris(bis(trimethylsilyl)amido)praseodymium(III) 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到Triphenylethylisocyanurat
  参考文献：
  名称：

  Cyclodimerization and cyclotrimerization of isocyanates promoted by one praseodymium benzenethiolate complex [Pr(SPh)3(THF)3]

  摘要：

  The cyclotrimerization of aryl isocyanates and the cyclodimerization of alkyl isocyanates initiated by one praseodymium benzenethiolate complex [Pr(SPh)(3)(THF)(3)] were investigated. Comparative runs with [Pr(SPh)(3)(THF)(3)] and its precursor Pr[(Me3Si)(2)N](3) showed that the former has the advantages of a higher selectivity toward isocyanates, easy preparation, low catalyst loading, high conversion as well as mild reaction conditions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.069