bis(4-bromophenyl)(2,4,6-triisopropylphenyl)borane | 1181404-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(4-bromophenyl)(2,4,6-triisopropylphenyl)borane
• 英文别名: Bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane；bis(4-bromophenyl)-[2,4,6-tri(propan-2-yl)phenyl]borane
• CAS: 1181404-03-4
• 化学式: C₂₇H₃₁BBr₂
• 分子量: 526.162
• InChiKey: JHJXCGRMMJGKPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  bis(4-bromophenyl)(2,4,6-triisopropylphenyl)borane 在 正丁基锂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  B/N 掺杂环烷的新平台：获得具有强偶极矩和独特光电特性的 π 共轭嵌段型 B3N3 大环

  摘要：

  介绍了一个不寻常的嵌段型π共轭大环MC - b - B3N3，它表现出很强的偶极矩和窄的HOMO-LUMO间隙。与其他环状六聚体相比，其独特的电子给体嵌段和受体嵌段取向导致在溶液和固态下均产生大量红移橙色发射。

  DOI：

  10.1002/anie.202200612
• 作为产物：
  描述：

  1,4-二溴苯 、 2,4,6-三异丙基苯硼酸甲酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 以12%的产率得到bis(4-bromophenyl)(2,4,6-triisopropylphenyl)borane
  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.
• A New Platform of B/N‐Doped Cyclophanes: Access to a π‐Conjugated Block‐Type B ₃ N ₃ Macrocycle with Strong Dipole Moment and Unique Optoelectronic Properties
  作者：Pengfei Li、Daisuke Shimoyama、Niu Zhang、Yawei Jia、Guofei Hu、Chenglong Li、Xiaodong Yin、Nan Wang、Frieder Jäkle、Pangkuan Chen

  DOI：10.1002/anie.202200612

  日期：2022.5.9

  An unusual block-type π-conjugated macrocycle MC-b-B3N3 that shows a strong dipole moment and a narrow HOMO–LUMO gap is introduced. Compared with other cyclic hexamers, its unique orientation of electron-donor block and acceptor block resulted in largely red-shifted orange emission both in solution and in the solid state.

  介绍了一个不寻常的嵌段型π共轭大环MC - b - B3N3，它表现出很强的偶极矩和窄的HOMO-LUMO间隙。与其他环状六聚体相比，其独特的电子给体嵌段和受体嵌段取向导致在溶液和固态下均产生大量红移橙色发射。