tris-(p-hydroxybenzylcarbamoylmethyl)amine | 1217438-77-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tris-(p-hydroxybenzylcarbamoylmethyl)amine
• 英文别名: 2-[bis[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]amino]-N-[(4-hydroxyphenyl)methyl]acetamide
• CAS: 1217438-77-1
• 化学式: C₂₇H₃₀N₄O₆
• 分子量: 506.558
• InChiKey: LCFMFNGAIXHUDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  151
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tris-(p-hydroxybenzylcarbamoylmethyl)amine 、 2-((4-(2-bromoethoxy)-3-methoxybenzyl)-oxy)tetrahydro-2H-pyran 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以58%的产率得到2-[bis[2-[[4-[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]phenyl]methylamino]-2-oxoethyl]amino]-N-[[4-[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]phenyl]methyl]acetamide
  参考文献：
  名称：

  A New Class of C₃-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes

  摘要：

  The first hemicryptophanes derived from tris(N-alkyl-carbamoylmethyl)amine and tris(2-aminoethyl)amine (tren) have been synthesized following a single synthetic pathway that allows the subsequent formation of the two heteroditopic hosts 3 and 4. X-ray crystal Structures show a well-defined cavity encapsulating a solvent guest for both compounds emphasizing their complexation properties.

  DOI：

  10.1021/jo100052r
• 作为产物：
  描述：

  tris-(p-methoxybenzylcarbamoylmethyl)amine 在 三溴化硼 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到tris-(p-hydroxybenzylcarbamoylmethyl)amine
  参考文献：
  名称：

  A New Class of C₃-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes

  摘要：

  The first hemicryptophanes derived from tris(N-alkyl-carbamoylmethyl)amine and tris(2-aminoethyl)amine (tren) have been synthesized following a single synthetic pathway that allows the subsequent formation of the two heteroditopic hosts 3 and 4. X-ray crystal Structures show a well-defined cavity encapsulating a solvent guest for both compounds emphasizing their complexation properties.

  DOI：

  10.1021/jo100052r

文献信息

• A New Class of <i>C</i>₃-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes
  作者：Pascal Dimitrov Raytchev、Olivier Perraud、Christophe Aronica、Alexandre Martinez、Jean-Pierre Dutasta

  DOI：10.1021/jo100052r

  日期：2010.3.19

  The first hemicryptophanes derived from tris(N-alkyl-carbamoylmethyl)amine and tris(2-aminoethyl)amine (tren) have been synthesized following a single synthetic pathway that allows the subsequent formation of the two heteroditopic hosts 3 and 4. X-ray crystal Structures show a well-defined cavity encapsulating a solvent guest for both compounds emphasizing their complexation properties.