4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-di-para-tolyl benzenamine) | 1181403-95-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-di-para-tolyl benzenamine)
• 英文别名: 4-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]boranyl]-N,N-bis(4-methylphenyl)aniline
• CAS: 1181403-95-1
• 化学式: C₅₅H₅₉BN₂
• 分子量: 758.898
• InChiKey: LIJONGJMOOZEKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.75
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis(4-bromophenyl)(2,4,6-triisopropylphenyl)borane 、 4,4'-二甲基二苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以17%的产率得到4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-di-para-tolyl benzenamine)
  参考文献：
  名称：

  Controlling the Charge Transfer in Phenylene-Bridged Borylene−Amine π-Conjugated Systems

  摘要：

  Novel boron-nitrogen-containing pi-conjugated compounds 3,3'- and 4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-diarylbenzenamine) (1-2), m- and p-phenylene bridged to the boron center, respectively, have been synthesized and characterized. Optical studies by means of UV-vis absorption and emission measurements as well as DFT calculations reveal a different charge transfer behavior between the para series and the meta series at ground and excited states.

  DOI：

  10.1021/ol9012487

文献信息

• Controlling the Charge Transfer in Phenylene-Bridged Borylene−Amine π-Conjugated Systems
  作者：Agnieszka Proń、Gang Zhou、Hassan Norouzi-Arasi、Martin Baumgarten、Klaus Müllen

  DOI：10.1021/ol9012487

  日期：2009.8.20

  Novel boron-nitrogen-containing pi-conjugated compounds 3,3'- and 4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-diarylbenzenamine) (1-2), m- and p-phenylene bridged to the boron center, respectively, have been synthesized and characterized. Optical studies by means of UV-vis absorption and emission measurements as well as DFT calculations reveal a different charge transfer behavior between the para series and the meta series at ground and excited states.