(5Z)-2-methyl-5-[(5-methyl-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methylidene]pyrrole | 1181226-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (5Z)-2-methyl-5-[(5-methyl-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methylidene]pyrrole
• CAS: 1181226-96-9
• 化学式: C₂₀H₂₂N₂
• 分子量: 290.408
• InChiKey: JWXDWOBBFGTFAJ-CZIZESTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (5Z)-2-methyl-5-[(5-methyl-1H-pyrrol-2-yl)-(2,4,6-trimethylphenyl)methylidene]pyrrole 、 tin(ll) chloride 在 n-butyllithium 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到(5Z)-2-methyl-5-[(5-methylpyrrol-1-id-2-yl)-(2,4,6-trimethylphenyl)methylidene]pyrrole;tin(2+);chloride
  参考文献：
  名称：

  Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene

  摘要：

  A fluorescent chlorostannylene bearing a dipyrromethene ligand was synthesized. Its fluorescence quantum yield was low, Phi(f) = 0.04, probably because of the existence of the tone-pair orbital energetically close to the pi orbital, However, its fluorescence emission was increased to Phi(f) = 0.42 by dechlorination using silver triflate. The resulting cationic species reverted again to the chlorostannylene upon reaction with tetrabutylammonium chloride, with a corresponding weakening of the fluorescence.

  DOI：

  10.1021/ja904470m