[Methyl-di(propan-2-yl)silyl]phosphane | 420783-92-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [Methyl-di(propan-2-yl)silyl]phosphane
• 英文别名: [methyl-di(propan-2-yl)silyl]phosphane
• CAS: 420783-92-2
• 化学式: C₇H₁₉PSi
• 分子量: 162.287
• InChiKey: BIZBHDXTESAEMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  三氯化铝 、 [Methyl-di(propan-2-yl)silyl]phosphane 在 n-BuLi 作用下， 以 乙醚 、 正庚烷 为溶剂， 以32%的产率得到(AlCl)4[μ3-PSi(Pr-i)2Me]2[μ-PSi(Pr-i)2Me]2(Et2O)2
  参考文献：
  名称：

  梯状Al4P4和六角棱柱Al6P6骨架化合物的合成、晶体结构和量子化学研究

  摘要：

  The reaction of AlCl3 with Li2PR (R = SiiPr(3), SiMeiPr(2)) in a mixture of heptane and ether yields in the polycyclic compounds [(AlCl)(4)(mu(3)-PR)(2)(mu-PR)(2)(Et2O)(2)] (1a: R = SiiPr(3); 1b: SiMeiPr(2)) with a ladder-shaped Al4P4 core. The coordination sphere of the outer aluminium atoms in these compounds is completed by ether ligands. In contrast, the reaction of AlCl3 with Li(2)PSiiPr(3) in pure heptane yields in the formation of the hexagonal prismatic compound [(AlCl)(6)(mu(3)-PSiiPr(3))(6)] (2). 1 and 2 were characterized by single crystal X-ray diffraction analysis as well as by P-31{1H} and Al-27 NMR spectroscopy. The structure determining effect of the solvent can be rationalized by quantumchemical calculations, which also show that the hexagonal prismatic structure is the most stable of the investigated oligomers in absence of ether.

  DOI：

  10.1002/1521-3749(200202)628:2<389::aid-zaac389>3.0.co;2-b

文献信息

• Synthese, Kristallstrukturen und quantenchemische Untersuchung von Verbindungen mit leiterartigem Al4P4- und hexagonal prismatischem Al6P6-Grundgerüst
  作者：Carsten von Hänisch、Florian Weigend

  DOI：10.1002/1521-3749(200202)628:2<389::aid-zaac389>3.0.co;2-b

  日期：2002.2

  The reaction of AlCl3 with Li2PR (R = SiiPr(3), SiMeiPr(2)) in a mixture of heptane and ether yields in the polycyclic compounds [(AlCl)(4)(mu(3)-PR)(2)(mu-PR)(2)(Et2O)(2)] (1a: R = SiiPr(3); 1b: SiMeiPr(2)) with a ladder-shaped Al4P4 core. The coordination sphere of the outer aluminium atoms in these compounds is completed by ether ligands. In contrast, the reaction of AlCl3 with Li(2)PSiiPr(3) in pure heptane yields in the formation of the hexagonal prismatic compound [(AlCl)(6)(mu(3)-PSiiPr(3))(6)] (2). 1 and 2 were characterized by single crystal X-ray diffraction analysis as well as by P-311H} and Al-27 NMR spectroscopy. The structure determining effect of the solvent can be rationalized by quantumchemical calculations, which also show that the hexagonal prismatic structure is the most stable of the investigated oligomers in absence of ether.