(3S)-3-benzyl-1,4,7,10-tetraazacyclododecane-2,6-dione | 470459-69-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (3S)-3-benzyl-1,4,7,10-tetraazacyclododecane-2,6-dione
• 英文别名: (3S)-3-benzyl-1,4,7,10-tetrazacyclododecane-2,6-dione
• CAS: 470459-69-9
• 化学式: C₁₅H₂₂N₄O₂
• 分子量: 290.365
• InChiKey: HMLVEVSIBBDTCH-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(methoxycarbonyl)methyl-L-phenylalanine methyl ester 、 二乙烯三胺 以 甲醇 为溶剂， 生成 (3S)-3-benzyl-1,4,7,10-tetraazacyclododecane-2,6-dione
  参考文献：
  名称：

  A convenient synthesis of chiral dioxocyclens and application as chiral solvating agents

  摘要：

  This paper report. a very short and efficient synthesis of chiral dioxocyclens starting, from natural amino acids. NMR experiments undertaken to assess the chiral recognition properties of these chiral macrocycles. The NMR spectra of mandelic acid or its derivatives in the presence and absence of the chiral dioxocyclens showed that these macrocycles have different enantiomeric discriminating ability, It was revealed that this type of dioxocyclen may be promising hosts Cor chiral discrimination. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00623-8

文献信息

• A convenient synthesis of chiral dioxocyclens and application as chiral solvating agents
  作者：Quan Yuan、Enqin Fu、Xiaojun Wu、Maohai Fang、Peng Xue、Chengtai Wu、Jiahua Chen

  DOI：10.1016/s0040-4039(02)00623-8

  日期：2002.5

  This paper report. a very short and efficient synthesis of chiral dioxocyclens starting, from natural amino acids. NMR experiments undertaken to assess the chiral recognition properties of these chiral macrocycles. The NMR spectra of mandelic acid or its derivatives in the presence and absence of the chiral dioxocyclens showed that these macrocycles have different enantiomeric discriminating ability, It was revealed that this type of dioxocyclen may be promising hosts Cor chiral discrimination. (C) 2002 Elsevier Science Ltd. All rights reserved.
• The Synthesis of New Chiral Dioxocyclens
  作者：Quan Yuan、Peng Xue、Maohai Fang、Enqin Fu、Chengtai Wu

  DOI：10.1081/scc-120020204

  日期：2003.6

  This article reports a short and efficient synthesis of chiral dioxocyclens starting from natural amino acids. Four new chiral dioxocyclens that contain different substituents at the chiral center were obtained. These dioxocyclens could not only be used for chiral recognition, but provide a feasible way for the synthesis of chiral cyclens.