3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-N-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]propan-1-amine | 153895-99-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-N-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]propan-1-amine
• 英文别名: 3-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-N-[[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methyl]propan-1-amine
• CAS: 153895-99-9
• 化学式: C₅₂H₄₇N₃P₂
• 分子量: 775.913
• InChiKey: DDTQXGFIAONDOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  57
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  36.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  对甲苯异氰酸酯 、 3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-N-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]propan-1-amine 以 苯 为溶剂， 反应 4.0h， 生成 2,12,20-Triazatetracyclo[10.8.0.03,8.014,19]icosa-1(20),3,5,7,14,16,18-heptaene
  参考文献：
  名称：

  Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines

  摘要：

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.

  DOI：

  10.1021/jo00059a015
• 作为产物：
  描述：

  3-(o-azidophenyl)propanol 在 sodium tetrahydroborate 、 magnesium sulfate 、 一水合肼 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 62.5h， 生成 3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-N-[[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methyl]propan-1-amine
  参考文献：
  名称：

  Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines

  摘要：

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.

  DOI：

  10.1021/jo00059a015

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 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.
• Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines
  作者：Pedro Molina、Mateo Alajarin、Angel Vidal

  DOI：10.1021/jo00059a015

  日期：1993.3

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.