| 1418023-42-3

• CAS: 1418023-42-3
• 化学式: C₃₃H₃₇BN₂
• 分子量: 472.481
• InChiKey: XIAYJUJJRVSMAB-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：

  在 三(五氟苯基)硼烷 作用下， 以 正己烷 、 氘代苯 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity

  摘要：

  Room-temperature photolysis of the amino-boryl complex [(OC)(5)Cr=B=N(SiMe3)(2)] in the presence of a series of mono- or bis(boryl) alkynes bis{bis-(dimethylamino)boryl}ethyne, 1-phenyl-2-bis-(dimethylamino)borylethyne, and 1-trimethylsilyl-2-bis-(dimethylamino)borylethyne led to the isolation of hitherto unknown borylborirenes in resonable yields, that is, [(RC=CR')(mu-BN(SiMe3)(2))] (7, R = B(NMe2)(2), R' = Ph; 8, R = R' = B(NMe2)(2); 9, R = B(NMe2)(2), R' = SiMe3). The borirenes were isolated and spectroscopically characterized by multinuclear NMR, IR, and UV/vis spectroscopy, crystallography, and elemental analysis. Reactivity studies of the borirenes demonstrated their behavior toward different Lewis bases. The isolated adducts and the parent borirenes were compared to 1,3-mesityl-2-phenylborirene and its adducts. To gain insight into the electronic structure and to evaluate the influence of the exocyclic groups, Density Functional Theory (DFT) calculations were carried out.

  DOI：

  10.1021/ja3110126
• 作为产物：
  描述：

  4-二甲氨基吡啶 、 1,2-mesityl-3-phenylborirene 以 甲苯 为溶剂， 反应 72.17h， 以65%的产率得到
  参考文献：
  名称：

  Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity

  摘要：

  Room-temperature photolysis of the amino-boryl complex [(OC)(5)Cr=B=N(SiMe3)(2)] in the presence of a series of mono- or bis(boryl) alkynes bis{bis-(dimethylamino)boryl}ethyne, 1-phenyl-2-bis-(dimethylamino)borylethyne, and 1-trimethylsilyl-2-bis-(dimethylamino)borylethyne led to the isolation of hitherto unknown borylborirenes in resonable yields, that is, [(RC=CR')(mu-BN(SiMe3)(2))] (7, R = B(NMe2)(2), R' = Ph; 8, R = R' = B(NMe2)(2); 9, R = B(NMe2)(2), R' = SiMe3). The borirenes were isolated and spectroscopically characterized by multinuclear NMR, IR, and UV/vis spectroscopy, crystallography, and elemental analysis. Reactivity studies of the borirenes demonstrated their behavior toward different Lewis bases. The isolated adducts and the parent borirenes were compared to 1,3-mesityl-2-phenylborirene and its adducts. To gain insight into the electronic structure and to evaluate the influence of the exocyclic groups, Density Functional Theory (DFT) calculations were carried out.

  DOI：

  10.1021/ja3110126