4-t-Bu-phenyl N,N'-di(α-methylbenzyl)phosphorodiamidate | 1240379-71-8

• 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: 4-t-Bu-phenyl N,N'-di(α-methylbenzyl)phosphorodiamidate
• CAS: 1240379-71-8
• 化学式: C₂₆H₃₃N₂O₂P
• 分子量: 436.534
• InChiKey: PAKWZYFKSOSWPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.17
• 重原子数：
  31.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  50.36
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4-叔丁基苯酚 在 lithium chloride 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 反应 36.0h， 生成 4-t-Bu-phenyl N,N'-di(α-methylbenzyl)phosphorodiamidate
  参考文献：
  名称：

  New phosphoroamidate compounds: Synthesis, structural characterization and studies on ZnCl2 assisted hydrolysis of the P–N bond

  摘要：

  A variety of phosphorodiamidate compounds were synthesized from the corresponding phosphorodichloridate intermediates and phosphorus oxychloride. These were completely characterized using different spectroscopic methods and single crystal X-ray diffraction studies on one of them. Studies revealed that water in the presence of a mild Lewis acid like ZnCl2 was found to assist the hydrolysis of the P-N linkage. The proof of this concept was effectively realized through the hydrolysis of hexamethylphosphoramide. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.04.002