octaallylbambus[4]uril | 1419607-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: octaallylbambus[4]uril
• CAS: 1419607-20-7
• 化学式: C₄₄H₅₆N₁₆O₈
• 分子量: 937.031
• InChiKey: JDEQEOAWHYUELC-QDCNPGCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  68.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  188.4
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  octaallylbambus[4]uril 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Extension of the Bambus[n]uril Family: Microwave Synthesis and Reactivity of Allylbambus[n]urils

  摘要：

  Microwave irradiations allow the preparation of unsaturated bambusurils in 85% yield compared to 20% yield under classical reaction conditions. Five new bambusurils were synthesized including unsaturated derivatives Allyl(8)BU[4] and Allyl(12)BU[6] bearing diallylglycoluril units. The reactivity of Allyl(8)BU[4] was tested in a variety of organic reactions showing that this macrocycle acts as a classical double bond-bearing product. The first monofunctionalized bambusuril Allyl(7)HepBU[4] prepared by a cross metathesis reaction is also reported.

  DOI：

  10.1021/ol303277u
• 作为产物：
  描述：

  1,3-二烯丙基脲 在 盐酸 、 对甲苯磺酸 作用下， 以 氯仿 、 水 为溶剂， 反应 5.0h， 生成 octaallylbambus[4]uril
  参考文献：
  名称：

  Extension of the Bambus[n]uril Family: Microwave Synthesis and Reactivity of Allylbambus[n]urils

  摘要：

  Microwave irradiations allow the preparation of unsaturated bambusurils in 85% yield compared to 20% yield under classical reaction conditions. Five new bambusurils were synthesized including unsaturated derivatives Allyl(8)BU[4] and Allyl(12)BU[6] bearing diallylglycoluril units. The reactivity of Allyl(8)BU[4] was tested in a variety of organic reactions showing that this macrocycle acts as a classical double bond-bearing product. The first monofunctionalized bambusuril Allyl(7)HepBU[4] prepared by a cross metathesis reaction is also reported.

  DOI：

  10.1021/ol303277u

文献信息

• Functionalization of Bambusurils by a Thiol-Ene Click Reaction and a Facile Method for the Preparation of Anion-Free Bambus[6]urils
  作者：Djamille Azazna、Marine Lafosse、Julie Rivollier、Jialan Wang、Imen Ben Cheikh、Michel Meyer、Pierre Thuéry、Jean-Pierre Dognon、Gaspard Huber、Marie-Pierre Heck

  DOI：10.1002/chem.201801468

  日期：2018.7.25

  Sulfide‐functionalized bambus[4]urils ((RS)8BU[4]) and bambus[6]urils ((RS)12BU[6]) were synthesized through thiol–ene click coupling reactions (TEC) of allylbambus[n]urils. Thiosugars were grafted to BU[4] and BU[6]. Synthesis of BU[6] derivatives always requires the use of a template anion (iodide, chloride, or bromide), which is enclosed in the cavity of BU[6]. We show that this anion influences

  硫醚官能bambus [4]环联脲（（RS）8 BU [4]）和bambus [6]环联脲（（RS）12 BU [6]）通过allylbambus的硫醇-烯点击偶联反应（TEC）合成[ Ñ ] urils。潮红素被移植到BU [4]和BU [6]上。BU [6]衍生物的合成始终需要使用模板阴离子（碘化物，氯离子或溴化物），该阴离子被包埋在BU [6]的空腔中。我们表明，该阴离子影响bambus [6] urils的反应性。包封的碘化物使烯丙基12具有烯丙基功能与相应的氯化物或溴化物包合物相比，BU [6]对TEC和氢化反应的反应性较低。这对于BU [6]的化学反应性至关重要，甚至对于确定其阴离子结合特性也至关重要。我们报告了一种使用AgSbF 6制备不含阴离子的BU [6]的简便，快捷的新方法。核磁共振波谱法用于估计这些新的空BU [6]与不同阴离子的缔合常数。采用量子化学计算来合理化观察