| 340735-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 340735-78-6
• 化学式: C₇₀H₉₄N₈O₁₈
• 分子量: 1335.56
• InChiKey: GHZJGOXSGLBRTN-LGHPFKSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  96.0
• 可旋转键数：
  16.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  278.68
• 氢给体数：
  4.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 在 N,N'-二环己基碳二亚胺 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Enantioselective binding of amino acids and amino alcohols by self-assembled chiral basket-shaped receptors

  摘要：

  Amino acid appended diphenylglycoluril-based chiral molecular receptors 2 and 3 have been prepared and their aggregation has been studied in water at various pH's and in chloroform. The binding of several biologically relevant guests with aromatic moieties to these aggregates has been studied with UV-Vis spectroscopy in competition experiments with 4-(4-nitrophenylazo)resorcinol (Magneson) and 2-(4-hydroxyphenylazo)benzoic acid (HABA) as probes. Aggregates of chiral host 2b showed binding of catecholamines and aromatic amino acids in an aqueous environment, as well as discrimination between amino acid enantiomers, and can be considered a mimic for adrenergic receptors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.019
• 作为产物：
  描述：

  N-alpha-叔丁氧羰基-L-赖氨酸 、 5,7,12,13b,13c,14-hexahydro-1,4,8,11-tetrakis<2-(2-chloro-ethoxy)ethoxy>-13b,13c-diphenyl-6H,13H-5a,6a,12a,13a-tetraazabenz<5,6>azuleno<2,1,8-ija>benzazulene-6,13-dione 在 sodium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 168000.0h， 以62%的产率得到
  参考文献：
  名称：

  Aggregation behaviour and binding properties of an l-lysine appended glycoluril receptor

  摘要：

  A new L-lysine appended receptor based on diphenylglycoluril is described. This compound self-assembles to form well-defined tubules in chloroform and vesicles in water. The host molecule strongly binds Magneson both in chloroform and in water, and L-dopa in water mimicking an adrenergic receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00297-0