(aminodiborane)*(tetrahydrofuran) | 1240163-52-3

• 英文名称: (aminodiborane)*(tetrahydrofuran)
• CAS: 1240163-52-3
• 化学式: B₂H₇N*C₄H₈O
• 分子量: 114.791
• InChiKey: LGNQJRYWYFZHIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (aminodiborane)*(tetrahydrofuran) 、 氨 以 not given 为溶剂， 生成 diborazane
  参考文献：
  名称：

  Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH₃BH₂NH₂BH₃

  摘要：

  A new ambient-temperature, catalyst-free reaction between ammonia borane and tetrahydrofuran borane produces aminodiborane via the formation of a dihydrogen bond and subsequent molecular hydrogen elimination. The facile synthesis of aminodiborane will make this long-sought active chemical reagent readily available for both inorganic and organic reactions. From aminodiborane, an inorganic butane analogue, NH3BH2NH2BH3, was prepared, and its single-crystal structure displayed a gauche rather than an anti form conformation.

  DOI：

  10.1021/ja104938v
• 作为产物：
  描述：

  四氢呋喃 在 硼烷铵络合物 作用下， 以70%的产率得到(aminodiborane)*(tetrahydrofuran)
  参考文献：
  名称：

  Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH₃BH₂NH₂BH₃

  摘要：

  A new ambient-temperature, catalyst-free reaction between ammonia borane and tetrahydrofuran borane produces aminodiborane via the formation of a dihydrogen bond and subsequent molecular hydrogen elimination. The facile synthesis of aminodiborane will make this long-sought active chemical reagent readily available for both inorganic and organic reactions. From aminodiborane, an inorganic butane analogue, NH3BH2NH2BH3, was prepared, and its single-crystal structure displayed a gauche rather than an anti form conformation.

  DOI：

  10.1021/ja104938v

文献信息

• Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane
  作者：Huizhen Li、Nana Ma、Wenjuan Meng、Judith Gallucci、Yongqing Qiu、Shujun Li、Qianyi Zhao、Jie Zhang、Ji-Cheng Zhao、Xuenian Chen

  DOI：10.1021/jacs.5b08033

  日期：2015.9.30

  synthesis of cyclic aminodiborane (NH2B2H5, ADB) from ammonia borane (NH3·BH3, AB) and THF·BH3 has made it possible to determine its important characteristics. Ammonia diborane (NH3BH2(μ-H)BH3, AaDB) and aminoborane (NH2BH2, AoB) were identified as key intermediates in the formation of ADB. Elimination of molecular hydrogen occurred from an ion pair, [H2B(NH3) (THF)](+)[BH4](-). Protic-hydridic hydrogen

  由氨硼烷 (NH3·BH3, AB) 和 THF· 轻松合成环状氨基乙硼烷 (NH2B2H5, ADB) 使得确定其重要特性成为可能。氨乙硼烷 (NH3BH2(μ-H) , AaDB) 和氨基硼烷 (NH2BH2, AoB) 被确定为形成 ADB 的关键中间体。分子氢的消除发生在离子对 [H2B(NH3) (THF)](+)[BH4](-) 中。通过（2）H NMR和MS对分子氢产物、ADB和其他试剂的分析证明了质子氢加扰，并提出该加扰发生在离子对可逆地形成类BH5中间体时, [(THF)BH2NH2](η(2)-H2) 。离子对失去分子氢导致形成 AoB，其中大部分被 捕获形成 ADB，少量低聚为 (NH2BH2)n。理论计算表明所提出的中间体和活化过程的热力学可行性。通过X射线单晶分析发现ADB·THF配合物的结构是ADB和THF的锯齿状链的三维阵列，由氢和二氢键维持。在