7,7-Dibromo-4,5-bis(2,5-dimethylthiophen-3-yl)-10-(trifluoromethyl)-3-thia-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene | 1364740-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 7,7-Dibromo-4,5-bis(2,5-dimethylthiophen-3-yl)-10-(trifluoromethyl)-3-thia-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
• CAS: 1364740-61-3
• 化学式: C₂₂H₁₇BBr₂F₃NS₃
• 分子量: 619.196
• InChiKey: SORINKWCZXBSHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.21
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7,7-Dibromo-4,5-bis(2,5-dimethylthiophen-3-yl)-10-(trifluoromethyl)-3-thia-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Photochromic Thienylpyridine–Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials

  摘要：

  A series of diarylethene-containing NAC chelated thienylpyridine-bis(allrynyl)borane complexes has been designed and synthesized. Their pholophysical and photochromic properties have been investigated and presented. The characteristic low-energy absorption band of their closed forms could be readily tuned from the visible range to the near-infrared region.

  DOI：

  10.1021/ol3004595
• 作为产物：
  描述：

  2,5-二甲基噻吩-3-硼酸 在 四(三苯基膦)钯 、 三溴化硼 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 水 为溶剂， 生成 7,7-Dibromo-4,5-bis(2,5-dimethylthiophen-3-yl)-10-(trifluoromethyl)-3-thia-8-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
  参考文献：
  名称：

  Photochromic Thienylpyridine–Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials

  摘要：

  A series of diarylethene-containing NAC chelated thienylpyridine-bis(allrynyl)borane complexes has been designed and synthesized. Their pholophysical and photochromic properties have been investigated and presented. The characteristic low-energy absorption band of their closed forms could be readily tuned from the visible range to the near-infrared region.

  DOI：

  10.1021/ol3004595