| 1396751-19-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1396751-19-1
• 化学式: C₃₈H₃₇BN₂
• 分子量: 532.536
• InChiKey: DGOPLUCTLZDNPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.79
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  、 二溴(苯基)硼烷 反应 20.0h， 以62%的产率得到
  参考文献：
  名称：

  One-Step Access to Luminescent Pentaaryldiazaboroles via C–C Double Bond Formation from Imidoylstannanes

  摘要：

  A series of pentaaryl-substituted diazaboroles have been prepared for the first time by a novel strategy based on the C-C double bond formation from imidoylstannane reagents in the presence of dibromo-phenylboranes. The aryl substituents on the 4,5-position of the planar C2N2B core have substantial effects on their electronic structures. All the new diazaboroles are luminescent both in solution and in the solid state. DFT calculations indicate the 4,5-C-aryl substituents have significant contributions to the LUMOs.

  DOI：

  10.1021/ja305806r

文献信息

• One-Step Access to Luminescent Pentaaryldiazaboroles via C–C Double Bond Formation from Imidoylstannanes
  作者：Dawei Tian、Jiang Jiang、Hongfan Hu、Jianying Zhang、Chunming Cui

  DOI：10.1021/ja305806r

  日期：2012.9.12

  A series of pentaaryl-substituted diazaboroles have been prepared for the first time by a novel strategy based on the C-C double bond formation from imidoylstannane reagents in the presence of dibromo-phenylboranes. The aryl substituents on the 4,5-position of the planar C2N2B core have substantial effects on their electronic structures. All the new diazaboroles are luminescent both in solution and in the solid state. DFT calculations indicate the 4,5-C-aryl substituents have significant contributions to the LUMOs.