[t-BuPO3BEt]4 | 185824-67-3

• 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: [t-BuPO3BEt]4
• 英文别名: 1,5,9,13-tetratert-butyl-3,7,11,15-tetraethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,5,9,13-tetraphosphonia-3,7,11,15-tetraboranuidapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• CAS: 185824-67-3
• 化学式: C₂₄H₅₆B₄O₁₂P₄
• 分子量: 703.84
• InChiKey: ZGMDUPPJUBHYSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [t-BuPO3BEt]4 、 苯酚 以 二乙二醇二甲醚 为溶剂， 生成 (3R,7S)-1,5,9,13-tetra-tert-butyl-3,7,11-triethyl-15-phenoxy-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1l5,5l5,9l5,13l5-tetraphospha-3l4,7l4,11l4,15l4-tetraborapentacyclo[9.5.1.13,9.15,15.17,13]icosane
  参考文献：
  名称：

  Syntheses, Spectroscopy, Structures, and Reactivity of Neutral Cubic Group 13 Molecular Phosphonates

  摘要：

  The syntheses of cubic group 13 molecular phosphonate cages of the formulas [RPO3MR'](4) (R=Me, Et, t-Bu, Ph: MR'=BEt, BBu-s, GaMe, InMe; all combinations, 1-16), [t-BuPO3AlBu-i](4) (17), and [MePO3AlBu-t](4) (18) have been achieved by the facile reactions of alkyl- or arylphosphonic acids with the corresponding alkyl compounds under appropriately chosen reaction conditions. Compounds 1-18 have been characterized by analytical and spectroscopic techniques. In all cases, the central M4O12P4 inorganic cubic framework is shielded by alkyl/aryl groups. The phosphonates bearing tert-butyl groups on the phosphorus are highly soluble in common organic solvents such as n-hexane, Et2O, and THF. The molecular structure of representative examples [t-BuPO3BEt](4) (3) and [t-BuPO3BBu-s](4) (7) as determined by single-crystal X-ray diffraction studies reveal the presence of a central cubic M4O12P4 framework that is analogous to those found in alumino- and gallophosphate materials. Most of these cubic phosphonates are air and moisture stable. In the presence of excess phenol, it is possible to react one of the M-C bonds at the corners of the cube 3 and prepare its monophenoxy derivative [t-BuPO3-BEt](3)[t-BuPO3B(OPh)] (19) in very low yields. However, in spite the presence of reactive M-C bonds, these cubic phosphonates an unreactive toward alcohols, amines, carboxylic acids, H2O, and air under ambient conditions.

  DOI：

  10.1021/ic970346j
• 作为产物：
  描述：

  三乙基硼 、 叔丁基磷酸 以 四氢呋喃 、 1,4-二氧六环 、 甲苯 为溶剂， 以95%的产率得到[t-BuPO3BEt]4
  参考文献：
  名称：

  第一个硼膦酸盐分子笼：合成，光谱学和单晶X射线结构†

  摘要：

  通过叔丁基膦酸和三乙基硼在回流的甲苯/ 1,4-二恶烷中的反应，已经实现了第一分子硼膦酸盐[ t -BuPO 3 BEt] 4（1）的合成。无机乙4 ö 12 P 4在立方构架1由丁酯和乙酯基团包围，使得高度易溶于普通有机溶剂中的化合物。存在于1的四个角中的反应性BC键可能提供使用该化合物作为构建超分子克拉硼膦酸酯/磷酸盐结构的原料的可能性。

  DOI：

  10.1021/om960995n