2,28-Bis(2,4,6-trimethylphenoxy)-7,23-dithia-15-boradecacyclo[27.3.1.05,32.06,14.08,13.012,18.015,31.016,24.017,22.025,30]tritriaconta-1,3,5(32),6(14),8,10,12,16(24),17,19,21,25,27,29(33),30-pentadecaene | 1376607-93-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,28-Bis(2,4,6-trimethylphenoxy)-7,23-dithia-15-boradecacyclo[27.3.1.05,32.06,14.08,13.012,18.015,31.016,24.017,22.025,30]tritriaconta-1,3,5(32),6(14),8,10,12,16(24),17,19,21,25,27,29(33),30-pentadecaene
• CAS: 1376607-93-0
• 化学式: C₄₈H₃₃BO₂S₂
• 分子量: 716.732
• InChiKey: KCSSQNUIHRVEJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.31
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,28-Bis(2,4,6-trimethylphenoxy)-7,23-dithia-15-boradecacyclo[27.3.1.05,32.06,14.08,13.012,18.015,31.016,24.017,22.025,30]tritriaconta-1,3,5(32),6(14),8,10,12,16(24),17,19,21,25,27,29(33),30-pentadecaene 、 氰化四丁基铵 以 氘代氯仿 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：

  [4,5-bis(2,4,6-trimethylphenoxy)-9-anthryl]-bis(4-bromobenzo[b]thiophen-3-yl)borane 在 iron(III) chloride 、 偶氮二异丁腈 、 三(三甲基硅基)硅烷 作用下， 以 硝基甲烷 、 二氯甲烷 、 甲苯 为溶剂， 反应 37.0h， 生成 2,28-Bis(2,4,6-trimethylphenoxy)-7,23-dithia-15-boradecacyclo[27.3.1.05,32.06,14.08,13.012,18.015,31.016,24.017,22.025,30]tritriaconta-1,3,5(32),6(14),8,10,12,16(24),17,19,21,25,27,29(33),30-pentadecaene
  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