(5-butyl-5'-dodecyl-5''-octyl-2,2',2''-triphenol)amine | 333426-48-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (5-butyl-5'-dodecyl-5''-octyl-2,2',2''-triphenol)amine
• 英文别名: 4-butyl-2-(N-(5-dodecyl-2-hydroxyphenyl)-2-hydroxy-5-octylanilino)phenol
• CAS: 333426-48-5
• 化学式: C₄₂H₆₃NO₃
• 分子量: 629.967
• InChiKey: CWEDYUIRBFXQIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.2
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  十六烷基三氯硅烷 、 (5-butyl-5'-dodecyl-5''-octyl-2,2',2''-triphenol)amine 以 二丁醚 为溶剂， 反应 18.0h， 以52%的产率得到1-hexadecyl-(13-butyl-17-dodecyl-21-octyl-3,4,6,7,10,11-tribenzo)silatrane
  参考文献：
  名称：

  Unsymmetrical tetrahedrally substituted tribenzosilatranes

  摘要：

  A tetraalkyltribenzosilatrane with four paraffinic chains of different length has been synthesized in Il steps with an overall yield of 16%. In the resulting molecule, four different substituents are distributed at the apices of the pyramidal tribenzosilatrane rigid core. Formally, this molecular architecture is a chiral macrocentre. The experimental methods for investigating the chirality of such objects are discussed. (C) 2001 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01090-5
• 作为产物：
  描述：

  1-甲氧基-4-辛基苯 在 三氯化铝 、 18-冠醚-6 、 potassium tert-butylate 、 水 、 碘 、 silver trifluoromethanesulfonate 、 铜 、 caesium carbonate 作用下， 以 四氢呋喃 、 氯仿 、 二乙二醇二甲醚 、 苯 为溶剂， 反应 103.0h， 生成 (5-butyl-5'-dodecyl-5''-octyl-2,2',2''-triphenol)amine
  参考文献：
  名称：

  Unsymmetrical tetrahedrally substituted tribenzosilatranes

  摘要：

  A tetraalkyltribenzosilatrane with four paraffinic chains of different length has been synthesized in Il steps with an overall yield of 16%. In the resulting molecule, four different substituents are distributed at the apices of the pyramidal tribenzosilatrane rigid core. Formally, this molecular architecture is a chiral macrocentre. The experimental methods for investigating the chirality of such objects are discussed. (C) 2001 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01090-5

文献信息

• Unsymmetrical tetrahedrally substituted tribenzosilatranes
  作者：Corinne Soulié

  DOI：10.1016/s0040-4020(00)01090-5

  日期：2001.2

  A tetraalkyltribenzosilatrane with four paraffinic chains of different length has been synthesized in Il steps with an overall yield of 16%. In the resulting molecule, four different substituents are distributed at the apices of the pyramidal tribenzosilatrane rigid core. Formally, this molecular architecture is a chiral macrocentre. The experimental methods for investigating the chirality of such objects are discussed. (C) 2001 Elsevier Science Ltd, All rights reserved.