5,6,18,19-tetradehydro-5,12,13,18,25,26-hexahydrotetrabenzo<1,3,10,12>tetraazacyclooctadecine | 153896-06-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5,6,18,19-tetradehydro-5,12,13,18,25,26-hexahydrotetrabenzo<1,3,10,12>tetraazacyclooctadecine
• 英文别名: 5,6,18,19-tetradehydro-5,12,13,18,25,26-hexahydrotetrabenzo[d,h,m,q][1,3,10,12]tetraazacyclooctadecine
• CAS: 153896-06-1
• 化学式: C₃₀H₂₄N₄
• 分子量: 440.547
• InChiKey: DNVRUBQWQSOJSM-UHFFFAOYSA-N

物化性质

• 沸点：
  667.4±55.0 °C(predicted)
• 密度：
  1.12±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  34
• 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：
  49.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,6,18,19-tetradehydro-5,12,13,18,25,26-hexahydrotetrabenzo<1,3,10,12>tetraazacyclooctadecine 在 氨 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到10,12,27,29-Tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,10,13,15,17,21,23,25,27,30,32-tetradecaene-11,28-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：

  2,2-亚乙基二苯胺 在 盐酸 、 sodium azide 、 sodium nitrite 作用下， 以 乙醚 、 苯 为溶剂， 反应 45.0h， 生成 5,6,18,19-tetradehydro-5,12,13,18,25,26-hexahydrotetrabenzo<1,3,10,12>tetraazacyclooctadecine
  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

• Medium- and large-membered rings from bis(iminophosphoranes): An efficient preparation of cyclic carbodiimides
  作者：Pedro Molina、Mateo Alajarín、Pilar Sánchez-Andrada

  DOI：10.1016/s0040-4039(00)60701-3

  日期：1993.8

  The new cyclic carbodiimides 3 are synthetized from bis(iminophosphoranes) 2 and Boc2O in the presence of DMAP; similar results can be achieved from the N-Boc-protected bis(iminophosphoranes) and carbon dioxide.

  在DMAP的存在下，由双（亚氨基膦酸酯）2和Boc 2 O合成了新的环状碳二亚胺3。由N-Boc保护的双（亚氨基正膦）和二氧化碳可以达到类似的结果。
• 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.