8-Chloro-2,2-difluoro-4-[4-(trifluoromethyl)phenyl]-3-oxa-9-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene | 1446022-21-4

• 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: 8-Chloro-2,2-difluoro-4-[4-(trifluoromethyl)phenyl]-3-oxa-9-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• 英文别名: 8-chloro-2,2-difluoro-4-[4-(trifluoromethyl)phenyl]-3-oxa-9-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• CAS: 1446022-21-4
• 化学式: C₁₃H₇BClF₅N₂O
• 分子量: 348.467
• InChiKey: RSNPHZLSJULEPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4'-三氟甲基苯乙酮 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 8-Chloro-2,2-difluoro-4-[4-(trifluoromethyl)phenyl]-3-oxa-9-aza-1-azonia-2-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
  参考文献：
  名称：

  Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes

  摘要：

  尽管非-, 三氟甲基- 和氰基取代衍生物显示了AIEE效应，但甲氧基- 和二甲基胺基取代的类似物在溶液中表现出相对强烈的荧光。

  DOI：

  10.1039/c4dt03318c

文献信息

• Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes
  作者：Yasuhiro Kubota、Yousuke Ozaki、Kazumasa Funabiki、Masaki Matsui

  DOI：10.1021/jo400879g

  日期：2013.7.19

  Novel fluorescent mono- and bisboron complexes based on pyrimidine bearing beta-iminoenolate ligands were synthesized, and their fluorescence properties were investigated. The nonsubstituted and trifluoromethyl-substituted monoboron complexes showed higher fluorescence quantum yield in solid state than in solution. The dimethylamino derivative of the monoboron complex exhibited positive solvatochromism in the fluorescence spectra. The bisboron complex showed significantly higher molar absorption coefficient and red-shifted maximum absorption and maximum fluorescence wavelengths than the corresponding monoboron complex.
• Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes
  作者：Yasuhiro Kubota、Kouhei Kasatani、Hiroki Takai、Kazumasa Funabiki、Masaki Matsui

  DOI：10.1039/c4dt03318c

  日期：——

  Although non-, trifluoromethyl-, and cyano-substituted derivatives showed AIEE effects, methoxy- and dimethylamino-substituted analogues resulted in relatively strong fluorescence in solution.

  尽管非-, 三氟甲基- 和氰基取代衍生物显示了AIEE效应，但甲氧基- 和二甲基胺基取代的类似物在溶液中表现出相对强烈的荧光。