[4,5-bis(2,4,6-trimethylphenoxy)-9-anthryl]dimethoxyborane | 1376607-94-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4,5-bis(2,4,6-trimethylphenoxy)-9-anthryl]dimethoxyborane
• 英文别名: [4,5-Bis(2,4,6-trimethylphenoxy)anthracen-9-yl]-dimethoxyborane
• CAS: 1376607-94-1
• 化学式: C₃₄H₃₅BO₄
• 分子量: 518.46
• InChiKey: INMOEKCDTAGWLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.42
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4,5-bis(2,4,6-trimethylphenoxy)-9-anthryl]dimethoxyborane 在 n-C₄H₉Li 、 ((CH₃)3Si)3SiH 、 1,1'-azobis(cyclohexanecarbonitrile) 、 FeCl₃ 作用下， 以 乙醚 、 氘代氯仿 、 硝基甲烷 、 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Polycyclic π-Electron System with Boron at Its Center

  摘要：

  We disclose a new planarized triarylborane in which the tri-coordinated boron atom is embedded in a fully fused polycyclic pi-conjugated skeleton. The compound shows high stability toward oxygen, water, and silica gel, despite the absence of steric protection around the B atom. Reflecting the electron-donating character of the pi-skeleton and the electron-accepting character of the B atom, this compound shows broad absorption bands that cover the entire visible region and a fluorescence in the visible/near-IR region. In addition, this compound shows dramatic property changes upon formation of a tetra-coordinated borate, such as thermochromic behavior in the presence of pyridine.

  DOI：

  10.1021/ja3036042
• 作为产物：
  描述：

  硼酸三甲酯 、 4,5-bis(2,4,6-trimethylphenoxy)-9-bromoanthracene 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以89%的产率得到[4,5-bis(2,4,6-trimethylphenoxy)-9-anthryl]dimethoxyborane
  参考文献：
  名称：

  Polycyclic π-Electron System with Boron at Its Center

  摘要：

  We disclose a new planarized triarylborane in which the tri-coordinated boron atom is embedded in a fully fused polycyclic pi-conjugated skeleton. The compound shows high stability toward oxygen, water, and silica gel, despite the absence of steric protection around the B atom. Reflecting the electron-donating character of the pi-skeleton and the electron-accepting character of the B atom, this compound shows broad absorption bands that cover the entire visible region and a fluorescence in the visible/near-IR region. In addition, this compound shows dramatic property changes upon formation of a tetra-coordinated borate, such as thermochromic behavior in the presence of pyridine.

  DOI：

  10.1021/ja3036042