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 | 1217438-78-2

• 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: 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
• CAS: 1217438-78-2
• 化学式: C₇₂H₉₀N₄O₁₈
• 分子量: 1299.52
• InChiKey: VOUGGCUEGGBNPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  94
• 可旋转键数：
  39
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  229
• 氢给体数：
  3
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  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 在 甲酸 、 potassium carbonate 作用下， 以 氯仿 、 水 为溶剂， 反应 24.0h， 以30%的产率得到2,9,37-Trimethoxy-11,14,32,35,43,46-hexaoxa-20,23,26,52-tetrazanonacyclo[21.19.12.37,36.215,18.228,31.247,50.16,10.04,41.039,58]tetrahexaconta-1,3,6(64),7,9,15(63),16,18(62),28,30,36,38,41,47(56),48,50(55),57,60-octadecaene-21,25,53-trione
  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-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

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.