| 137918-53-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 137918-53-7
• 化学式: C₃₈H₅₄N₁₀O₄P₄
• 分子量: 838.806
• InChiKey: ATUOIOZUSORUSI-UJHJUZAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.99
• 重原子数：
  56.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  148.8
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  bis(2-formylphenyl)phenylphosphine oxide 、 以 四氢呋喃 为溶剂， 反应 6.0h， 以78%的产率得到
  参考文献：
  名称：

  Design of new tools for macrocyclic synthesis. Applications to the preparation of polyphosphorus macrocycles

  摘要：

  New diphosphorus m,m' or p,p' dialdehydes 2-7 were prepared by treatment of 1,3-di-tert-butyldiaza-2,4-dichlorodiphosphetidine, 1, with 3- or 4-hydroxybenzaldehyde, and in the case of 4-7 in the presence of S8. These initial compounds when reacted with phosphodihydrazides RP(X) (NCH3NH2)2 9 and 10 allowed the preparation, via [2 + 2] cyclocondensation reactions, of macrocycles 11-13, 15, and 16 possessing six phosphorus atoms in the skeleton, different coordination modes (tri- or tetracoordinate) and both N-P-N and O-P-N linkages. Reaction of the tetraphosphorus dihydrazide 20 with 1,2-benzenedicarboxaldehyde gave macrocycle 22 with a total annular size of 29 ring atoms. Macrocycles 23 or 24 were obtained by reacting 20 with 2,6-pyridinedicarboxaldehyde or 1,3-benzenedicarboxaldehyde. Asymmetry can also be introduced via [1 + 1] cyclocondensation of tetraphosphorus dihydrazides 18 or 19 with diphosphorus dialdehydes 3 or 2; these reactions led to the 38-membered cyclic product 25. Two macrocycles 27, 28 incorporating five phosphorus atoms with three different types of phosphorus environments (C-P-C,N-P-N, and O-P-N) were obtained when tetraphosphorus dihydrazides 18 or 20 were reacted with the phosphorus dialdehyde 26. All the reactions were found stereospecific.

  DOI：

  10.1021/jo00029a034
• 作为产物：
  描述：

  2,4-dichloro-1,3-di-tert-butyl-1,3,2,4-diazadiphosphetidine 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 50.0h， 生成
  参考文献：
  名称：

  Design of new tools for macrocyclic synthesis. Applications to the preparation of polyphosphorus macrocycles

  摘要：

  New diphosphorus m,m' or p,p' dialdehydes 2-7 were prepared by treatment of 1,3-di-tert-butyldiaza-2,4-dichlorodiphosphetidine, 1, with 3- or 4-hydroxybenzaldehyde, and in the case of 4-7 in the presence of S8. These initial compounds when reacted with phosphodihydrazides RP(X) (NCH3NH2)2 9 and 10 allowed the preparation, via [2 + 2] cyclocondensation reactions, of macrocycles 11-13, 15, and 16 possessing six phosphorus atoms in the skeleton, different coordination modes (tri- or tetracoordinate) and both N-P-N and O-P-N linkages. Reaction of the tetraphosphorus dihydrazide 20 with 1,2-benzenedicarboxaldehyde gave macrocycle 22 with a total annular size of 29 ring atoms. Macrocycles 23 or 24 were obtained by reacting 20 with 2,6-pyridinedicarboxaldehyde or 1,3-benzenedicarboxaldehyde. Asymmetry can also be introduced via [1 + 1] cyclocondensation of tetraphosphorus dihydrazides 18 or 19 with diphosphorus dialdehydes 3 or 2; these reactions led to the 38-membered cyclic product 25. Two macrocycles 27, 28 incorporating five phosphorus atoms with three different types of phosphorus environments (C-P-C,N-P-N, and O-P-N) were obtained when tetraphosphorus dihydrazides 18 or 20 were reacted with the phosphorus dialdehyde 26. All the reactions were found stereospecific.

  DOI：

  10.1021/jo00029a034