N-[bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene

• 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: N-[bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene
• 英文别名: Bis(2,4,6-trimethylphenoxy)phosphorylimino-tris(2,4,6-trimethylphenoxy)-lambda5-phosphane；bis(2,4,6-trimethylphenoxy)phosphorylimino-tris(2,4,6-trimethylphenoxy)-λ5-phosphane
• 化学式: C₄₅H₅₅NO₆P₂
• 分子量: 767.882
• InChiKey: YTNNGULKCYFAIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  54
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,4,6-三甲酚 在 Cl₂PONCl₃ 、 sodium 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 生成 N-[bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene
  参考文献：
  名称：

  N-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene

  摘要：

  The title compound, C45H55NO6P2, consists of an acyclic P=N-P(O) monophosphazene chain and five bulky 2,4,6-trimethylphenoxy side groups which predominantly determine the molecular shape. Although the P-N single [1.586 (3) Angstrom] and P=N double [1.517 (3) Angstrom] bonds are significantly different from each other, both are substantially shorter than the ideal P-N single bond. The P-N-P angle [146.0 (2)degrees] corresponds to the upper limit reported for acyclic phosphazene derivatives in the literature.

  DOI：

  10.1107/s010827010001177x

文献信息

• <i>N</i>-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-<i>P</i>,<i>P</i>,<i>P</i>-tris(2,4,6-trimethylphenoxy)phosphazene
  作者：Tuncer Hökelek、Nurcan Akduran、Saliha Begeç、Adem Kılıç、Zeynel Kılıç

  DOI：10.1107/s010827010001177x

  日期：2000.11.15

  The title compound, C45H55NO6P2, consists of an acyclic P=N-P(O) monophosphazene chain and five bulky 2,4,6-trimethylphenoxy side groups which predominantly determine the molecular shape. Although the P-N single [1.586 (3) Angstrom] and P=N double [1.517 (3) Angstrom] bonds are significantly different from each other, both are substantially shorter than the ideal P-N single bond. The P-N-P angle [146.0 (2)degrees] corresponds to the upper limit reported for acyclic phosphazene derivatives in the literature.