4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine | 190138-06-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
• CAS: 190138-06-8
• 化学式: C₃₁H₄₈N₈
• 分子量: 532.776
• InChiKey: RHMPJEGJBUCCRP-UHFFFAOYSA-N

物化性质

• 沸点：
  718.1±70.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  39
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 14-(p-Chlorphenyl)-29-dioctylamino-11,17-bis(pyrrolidino)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.1^3,7.1^9,13.1^15,19.1^21,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene
  参考文献：
  名称：

  Polyazacalix[5]arene - Synthese und NMR-Untersuchungen

  摘要：

  The polyazacalix[5]arenes 5a-f were easily prepared by cyclisation of cyanuric chloride derivatives 3a-d und 4a-b. These macrocycles contain two phenylene and three 1,3,5-triazine units. The derivatisation of reactive chlorine-containing macrocycles 5 with amines, diamines and methanol gave compounds 6a-e. The structures and conformations of these novel macrocyclic ring systems have been investigated by various NMR methods.

  DOI：

  10.1002/prac.19973390147
• 作为产物：
  描述：

  二正辛胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 5.5h， 生成 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Polyazacalix[5]arene - Synthese und NMR-Untersuchungen

  摘要：

  The polyazacalix[5]arenes 5a-f were easily prepared by cyclisation of cyanuric chloride derivatives 3a-d und 4a-b. These macrocycles contain two phenylene and three 1,3,5-triazine units. The derivatisation of reactive chlorine-containing macrocycles 5 with amines, diamines and methanol gave compounds 6a-e. The structures and conformations of these novel macrocyclic ring systems have been investigated by various NMR methods.

  DOI：

  10.1002/prac.19973390147