1,3,5-tris(4-isopropylphenyl)-1,3,5-triazinane-2,4,6-trione | 1034645-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-tris(4-isopropylphenyl)-1,3,5-triazinane-2,4,6-trione
• 英文别名: 1,3,5-Tris(4-propan-2-ylphenyl)-1,3,5-triazinane-2,4,6-trione；1,3,5-tris(4-propan-2-ylphenyl)-1,3,5-triazinane-2,4,6-trione
• CAS: 1034645-81-2
• 化学式: C₃₀H₃₃N₃O₃
• 分子量: 483.61
• InChiKey: MLNPSPJSUPJRQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  4-异丙基苯异氰酸酯 在 [Pr(SPh)3(THF)3] 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以97%的产率得到1,3,5-tris(4-isopropylphenyl)-1,3,5-triazinane-2,4,6-trione
  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

文献信息

• Cyclodimerization and cyclotrimerization of isocyanates promoted by one praseodymium benzenethiolate complex [Pr(SPh)3(THF)3]
  作者：He-Ming Wang、Hong-Xi Li、Xiang-Yang Yu、Zhi-Gang Ren、Jian-Ping Lang

  DOI：10.1016/j.tet.2010.12.069

  日期：2011.2

  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.