1,3,5-tris(3,4,5,6-tetrahydropyrimidin-2-yl)benzene | 224170-76-7

• 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: 1,3,5-tris(3,4,5,6-tetrahydropyrimidin-2-yl)benzene
• 英文别名: 2-[3,5-Bis(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
• CAS: 224170-76-7
• 化学式: C₁₈H₂₄N₆
• 分子量: 324.429
• InChiKey: LGISRLASXZKCQE-UHFFFAOYSA-N

物化性质

• 沸点：
  662.3±55.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  73.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(3,4,5,6-tetrahydropyrimidin-2-yl)benzene 在 盐酸 作用下， 生成
  参考文献：
  名称：

  Branched non-covalent complexes from carboxylic acids and a tris(tetrahydropyrimidine) base

  摘要：

  Non-covalent binding of various carboxylic acids to 1,3,5-tris(1,4,5,6-tetrahydropyrimidin-2-yl)benzene 3 produced 3 : 1 complexes with good solubility in various nonpolar organic solvents. The association constant for a model system was measured to be 61700 +/- 11900 M-1 in CD3OD/CDCl3 (97 : 3), indicating the utility of this interaction between an acid and tri-basic heterocyclic amidine 3 for assembling branched complexes. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00112-x
• 作为产物：
  描述：

  均苯三甲酸 、 1,3-丙二胺 在 盐酸 、 sodium hydroxide 、 1,3-diaminopropane dihydrochloride 、 对甲苯磺酸 作用下， 生成 1,3,5-tris(3,4,5,6-tetrahydropyrimidin-2-yl)benzene
  参考文献：
  名称：

  Branched non-covalent complexes from carboxylic acids and a tris(tetrahydropyrimidine) base

  摘要：

  Non-covalent binding of various carboxylic acids to 1,3,5-tris(1,4,5,6-tetrahydropyrimidin-2-yl)benzene 3 produced 3 : 1 complexes with good solubility in various nonpolar organic solvents. The association constant for a model system was measured to be 61700 +/- 11900 M-1 in CD3OD/CDCl3 (97 : 3), indicating the utility of this interaction between an acid and tri-basic heterocyclic amidine 3 for assembling branched complexes. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00112-x