methyl 10-(3,5-dimethyl-1H-pyrrol-2-yl)-10-(3,5-dimethyl-2H-pyrrol-2-ylidene)decanoate | 1007104-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: methyl 10-(3,5-dimethyl-1H-pyrrol-2-yl)-10-(3,5-dimethyl-2H-pyrrol-2-ylidene)decanoate
• CAS: 1007104-04-2
• 化学式: C₂₃H₃₄N₂O₂
• 分子量: 370.535
• InChiKey: MYNIDFOJNSQVGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.06
• 重原子数：
  27.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  54.45
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 10-(3,5-dimethyl-1H-pyrrol-2-yl)-10-(3,5-dimethyl-2H-pyrrol-2-ylidene)decanoate 在 氢氧化钾 、 三氟化硼乙醚 、 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 生成 9-(Me4-BODIPY-8)nonanoic acid
  参考文献：
  名称：

  A synthesis and properties of new 4,4-difluoro-3a,4a-diaza-s-indacene (BODIPY)-labeled lipids

  摘要：

  A series of fluorescently labeled fatty acids of various chain lengths with 4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene-8-Y1 (Me-4-BODIPY-8) residue in the omega-position were synthesized. These acids were used to prepare new fluorescently labeled phosphatidylcholines, sphincyomyelin, and galactosyl ceramide. The symmetry of the Me-4-BODIPY-8-fluorophore suggests that, in most bilayer membrane systems, this fluorophore would be embedded into the bilayer.

  DOI：

  10.1134/s1068162006010080
• 作为产物：
  描述：

  2,4-二甲基吡咯 、 10-氯-10-氧代癸酸甲酯 以 氯仿 为溶剂， 生成 methyl 10-(3,5-dimethyl-1H-pyrrol-2-yl)-10-(3,5-dimethyl-2H-pyrrol-2-ylidene)decanoate
  参考文献：
  名称：

  A synthesis and properties of new 4,4-difluoro-3a,4a-diaza-s-indacene (BODIPY)-labeled lipids

  摘要：

  A series of fluorescently labeled fatty acids of various chain lengths with 4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene-8-Y1 (Me-4-BODIPY-8) residue in the omega-position were synthesized. These acids were used to prepare new fluorescently labeled phosphatidylcholines, sphincyomyelin, and galactosyl ceramide. The symmetry of the Me-4-BODIPY-8-fluorophore suggests that, in most bilayer membrane systems, this fluorophore would be embedded into the bilayer.

  DOI：

  10.1134/s1068162006010080