1,3,7,13-tetramethyl-2-acetyl-8,12-di(1-methoxy-carbonylethyl)tripyrrene-a hydrobromide | 56250-53-4

• 英文名称: 1,3,7,13-tetramethyl-2-acetyl-8,12-di(1-methoxy-carbonylethyl)tripyrrene-a hydrobromide
• CAS: 56250-53-4
• 化学式: BrH*C₂₈H₃₅N₃O₅
• 分子量: 574.515
• InChiKey: IZIUVKHITBHODS-UMSFUEGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  113.61
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,3,7,13-tetramethyl-2-acetyl-8,12-di(1-methoxy-carbonylethyl)tripyrrene-a hydrobromide 在 sodium tetrahydroborate 、 氢溴酸 、 溴 、 碘 、 溶剂黄146 作用下， 以 乙醇 、 氯仿 、 硝基苯 为溶剂， 反应 0.92h， 生成
  参考文献：
  名称：

  Synthesis and study of chlorin and porphyrin dimers with ether linkage

  摘要：

  Novel dimers of chlorophyll compounds (pheophorbide a, chlorin p6) and model porphyrin with ether linkage were synthesized and separated into components A and B (less and more polar). The ratio of these components was the same for all dimers and irrespective of reaction conditions. Method of dimerization through trifluoroacetoxyethylderivative gave higher yields.

  DOI：

  10.1016/s0040-4020(01)88238-7
• 作为产物：
  描述：

  4-乙酰基-3,5-二甲基-1H-吡咯-2-甲醛 、 3,3'-dimethoxycarbonylethyl-4,4'-dimethyl-2,2'-dipyrromethane 在 氢溴酸 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 反应 0.33h， 以86%的产率得到1,3,7,13-tetramethyl-2-acetyl-8,12-di(1-methoxy-carbonylethyl)tripyrrene-a hydrobromide
  参考文献：
  名称：

  Synthesis and study of chlorin and porphyrin dimers with ether linkage

  摘要：

  Novel dimers of chlorophyll compounds (pheophorbide a, chlorin p6) and model porphyrin with ether linkage were synthesized and separated into components A and B (less and more polar). The ratio of these components was the same for all dimers and irrespective of reaction conditions. Method of dimerization through trifluoroacetoxyethylderivative gave higher yields.

  DOI：

  10.1016/s0040-4020(01)88238-7