(Z)-3-ethyl-2-((3-ethyl-5-methyl-4-phenyl-2H-pyrrol-2-ylidene)methyl)-5-methyl-4-phenyl-1H-pyrrole | 1365480-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: (Z)-3-ethyl-2-((3-ethyl-5-methyl-4-phenyl-2H-pyrrol-2-ylidene)methyl)-5-methyl-4-phenyl-1H-pyrrole
• 英文别名: (2Z)-3-ethyl-2-[(3-ethyl-5-methyl-4-phenyl-1H-pyrrol-2-yl)methylidene]-5-methyl-4-phenylpyrrole
• CAS: 1365480-76-7
• 化学式: C₂₇H₂₈N₂
• 分子量: 380.533
• InChiKey: IFNZYDOCHFFBJZ-UQQQWYQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4-difluoro-1,7-diethyl-2,6-diphenyl-3,5-dimethyl-8-H-4-bora-3a,4a-diaza-s-indacene 在 水 、 potassium hydroxide 、 叔丁醇 作用下， 反应 0.25h， 以83%的产率得到(Z)-3-ethyl-2-((3-ethyl-5-methyl-4-phenyl-2H-pyrrol-2-ylidene)methyl)-5-methyl-4-phenyl-1H-pyrrole
  参考文献：
  名称：

  Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF₂ Removal

  摘要：

  We recently reported the first general method for the deprotection of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (F-BODIPYs) involving a microwave-assisted procedure for the removal of the BF2 moiety, and liberation of the corresponding free-base dipyrrin. Further optimization of the reaction has resulted in a more convenient and accessible protocol. The availability of this new methodology enables BF2-complexation to be used as a dipyrrin protection strategy. Herein lies a detailed examination of the deprotection reaction, with a view to optimization and gaining mechanistic insight, and its application in facilitating a multistep synthesis of pyrrolyldipyrrins.

  DOI：

  10.1021/jo3002003