| 159428-33-8

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 159428-33-8
• 化学式: C₃₀H₂₄N₄O₂
• 分子量: 472.546
• InChiKey: HZHOFRZTVMGINL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  在 氨 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到(12E,26E)-2a,14,19,21-Tetrahydro-5H,7H-6,20-dioxa-2a,12,14,26-tetraaza-tetrabenzo[a,f,k,p]cycloeicosene-13,27-diamine
  参考文献：
  名称：

  一类新型的大环双胍类化合物的通用有效制备

  摘要：

  易于获得的大环双（碳二亚胺）与氨，伯或仲烷基胺和α，ω-二氨基化合物的反应提供了一类新型的大环双（胍），其以结晶固体的形式高产率（74-98％）分离。

  DOI：

  10.1016/0040-4039(95)01997-v
• 作为产物：
  描述：

  2-azidobenzyl alcohol 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 乙醚 、 苯 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP

  摘要：

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.

  DOI：

  10.1021/jo00103a022

文献信息

• A generalized and efficient preparation of a novel class of macrocyclic bis(guanidines)
  作者：Pedro Molina、Mateo Alajarín、Pilar Sánchez-Andrada

  DOI：10.1016/0040-4039(95)01997-v

  日期：1995.12

  Reaction of readily available macrocyclic bis(carbodiimides) with ammonia, primary or secondary alkylamines and α,ω-diamino compounds provided a novel class of macrocyclic bis(guanidines), which were isolated as crystalline solids in high yields (74–98 %).

  易于获得的大环双（碳二亚胺）与氨，伯或仲烷基胺和α，ω-二氨基化合物的反应提供了一类新型的大环双（胍），其以结晶固体的形式高产率（74-98％）分离。
• A New and Efficient Preparation of Cyclic Carbodiimides from Bis(iminophosphoranes) and the System Boc2O/DMAP
  作者：Pedro Molina、Mateo Alajarin、Pilar Sanchez-Andrada、Jose Elguero、Maria Luisa Jimeno

  DOI：10.1021/jo00103a022

  日期：1994.12

  A one-pot synthesis of cyclic carbodiimides which involves reaction of C,C-bis(aryliminophosphoranes) connected by aliphatic bridges with Boc(2)O in the presence of DMAP is described. The method is also applicable when a heteroatom such as oxygen or nitrogen is incorporated into the tether connecting the two aromatic rings. A conformation study has been carried out on carbodiimide 23a, which posseses a central nine-membered ring, using H-1 NMR spectroscopy and semiempirical as well as molecular mechanics calculations.
• A Generalized and Efficient Preparation of a Novel Class of Macrocyclic Bis(guanidines) from Cyclic Bis(carbodiimides)
  作者：Pedro Molina、Mateo Alajarín、Pilar Sánchez-Andrada、Juliana Sanz-Aparicio、Martín Martínez-Ripoll

  DOI：10.1021/jo972107j

  日期：1998.5.1

  Reaction of readily available macrocyclic bis(carbodiimides) with nitrogen reagents such as ammonia, primary or secondary alkylamines, and alpha,omega-diamino compounds provided a novel class of macrocyclic bis(guanidines), which were isolated as crystalline solids in high yields (74-98%). The crystal and molecular structure of the bis(guanidine) derived from bicyclo[8.8.2]docosane 10a has been determined.