(2S,12S)-1,4,10,13-tetraaza-2,12-dimethyl-7,16,19-trioxa-3,11,14,21-cycloheneicosatetraone

• 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: (2S,12S)-1,4,10,13-tetraaza-2,12-dimethyl-7,16,19-trioxa-3,11,14,21-cycloheneicosatetraone
• 英文别名: (8S,18S)-8,18-dimethyl-1,4,13-trioxa-7,10,16,19-tetrazacyclohenicosane-6,9,17,20-tetrone
• 化学式: C₁₆H₂₈N₄O₇
• 分子量: 388.421
• InChiKey: AXYDEPUCELSHCA-RYUDHWBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,6-dioxa-1,8-octanoyl dichloride 在 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 Petroleum ether 为溶剂， 20.0 ℃ 、1000.0 MPa 条件下， 反应 20.0h， 生成 (2S,12S)-1,4,10,13-tetraaza-2,12-dimethyl-7,16,19-trioxa-3,11,14,21-cycloheneicosatetraone
  参考文献：
  名称：

  Synthesis of macrocyclic tetraamides derived from α-amino acids and their investigations using ESI-MS technique

  摘要：

  Chiral alpha,omega-diesters react under high-pressure conditions (10 kbar) with alpha,omega-diamines to give chiral cyclic tetraamides Of C-2-symmetry. The complexation properties of tetraamides towards alkali metal cations (Li+, Na+, K+, Rb+ and Cs+) were estimated on the basis of ESI-MS spectra. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00691-4

文献信息

• A New Approach to the Synthesis of Chiral Tetraazacoronands Derived from L-Alanine
  作者：Janusz Jurczak、Agnieszka Szczepanska、Piotr Salanski

  DOI：10.3987/com-99-s76

  日期：——
• Szczepanska; Tarnowski; Jurczak, Polish Journal of Chemistry, 2005, vol. 79, # 12, p. 1909 - 1917
  作者：Szczepanska、Tarnowski、Jurczak

  DOI：——

  日期：——
• Synthesis of macrocyclic tetraamides derived from α-amino acids and their investigations using ESI-MS technique
  作者：Agnieszka Szczepańska、Piotr Sałański、Janusz Jurczak

  DOI：10.1016/s0040-4020(03)00691-4

  日期：2003.6

  Chiral alpha,omega-diesters react under high-pressure conditions (10 kbar) with alpha,omega-diamines to give chiral cyclic tetraamides Of C-2-symmetry. The complexation properties of tetraamides towards alkali metal cations (Li+, Na+, K+, Rb+ and Cs+) were estimated on the basis of ESI-MS spectra. (C) 2003 Elsevier Science Ltd. All rights reserved.