N-butyl-1,3,5-triaza-7-phosphaadamantane iodide | 1134191-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: N-butyl-1,3,5-triaza-7-phosphaadamantane iodide
• 英文别名: [PTA-nBu]I
• CAS: 1134191-18-6
• 化学式: C₁₀H₂₁N₃P*I
• 分子量: 341.175
• InChiKey: NLEYSXFZMYFNCB-KAECKJJSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.52
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-butyl-1,3,5-triaza-7-phosphaadamantane iodide 、 copper(II) nitrate trihydrate 在 HNO₃ 作用下， 以 水 为溶剂， 以55%的产率得到[CuI2(N-butyl-1,3,5-triaza-7-phosphaadamantane)2]
  参考文献：
  名称：

  Unprecedented Metal-Free C(sp³)−C(sp³) Bond Cleavage: Switching from N-Alkyl- to N-Methyl-1,3,5-triaza-7-phosphaadamantane

  摘要：

  N-Alkyl-1,3,5-triaza-7-phosphadamantane halides [PTA-R]X (X = I-, Br-) with more than two carbon atoms in the alkyl chain are shown to easily convert, under mild conditions in aqueous medium, into the corresponding N-methyl derivatives, thus representing a novel type of metal-free C(sp(3))-C(sp(3)) bond cleavage that affects inert, unstrained, and unbranched aliphatic groups. This unusual transformation is promoted by Cu ions and is proposed to occur via a postulated ammonium ylide. In the presence of Cu ions, this C-C bond dissociation is also a key point for the formation of a unique 2D Cu(I) coordination polymer with a rare P,N-coordination mode of the PTA cage.

  DOI：

  10.1021/om801026a

文献信息

• New water-soluble palladium(II) iodide complexes derived from N-protonated or N-alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, crystal structure and catalytic properties in aqua media
  作者：Aleksandra Zatajska、Miłosz Siczek、Anna Skarżyńska、Piotr Smoleński

  DOI：10.1016/j.ica.2016.03.041

  日期：2017.1

  salts [PTA-R]I (R = H, Me, Et, nPr, nBu) give the water-soluble palladium(II) complexes of type [PdI3(PTA-R)] in isolated yields of 62–81%. All these compounds have been fully characterized by IR and NMR spectroscopies and elemental analyses. Their molecular structures were confirmed by single crystal X-ray diffraction analysis. The complexes belong to the relatively unusual zwitterionic, coordination

  [NH4] 2 [PdCl4]与N-质子化或N-烷基-1,3,5-triaza-7-phosphaadamantane碘化物盐[PTA-R] I（R = H，Me，Et，nPr，nBu的反应） ）分离得到62–81％的[PdI3（PTA-R）]型水溶性钯（II）复合物。所有这些化合物均已通过IR和NMR光谱以及元素分析得到了充分表征。通过单晶X射线衍射分析证实了它们的分子结构。该配合物属于相对不寻常的两性离子配位化合物。而且，据我们所知，它们构成了带有N-烷基-1,3,5-三氮杂-7-磷金刚烷配体的钯化合物的第一个报道实例。在水为溶剂的温和条件下，该络合物可有效催化碘代苯和丙烯酸正丁酯以及碘代苯和取代的苯乙烯的Heck反应。