5-[[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde | 1350933-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-[[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde
• CAS: 1350933-97-9
• 化学式: C₃₆H₃₁N₅O₂
• 分子量: 565.674
• InChiKey: BEMUFQAPAVLSPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde 、 4,4'-bis-(2-methoxycarbonyl-ethyl)-3,3'-dimethyl-5,5'-methanediyl-bis-pyrrole-2-carboxylic acid 在 三氟乙酸 、 四氯苯醌 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以8.3%的产率得到
  参考文献：
  名称：

  Fabrications of potential imaging probes based on a β-alkyl substituted porphyrin with a terpyridine external coordination site

  摘要：

  We report synthesis and coordination properties of beta-alkyl porphyrin derivatives bearing terpyridylphenyl substituents at the meso-position and propionate side chains at the beta-positions. Rhenium(I) carbonyl ion was encapsulated not in the core but in the external terpyridyl ligand. Such porphyrin-terpyridine hybrid porphyrins can be potentially available for less-invasive imaging like SPECT. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.132
• 作为产物：
  描述：

  3,4-二甲基-1H-吡咯-2-羧酸乙酯 在 对甲苯磺酸 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 10.0h， 生成 5-[[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde
  参考文献：
  名称：

  Fabrications of potential imaging probes based on a β-alkyl substituted porphyrin with a terpyridine external coordination site

  摘要：

  We report synthesis and coordination properties of beta-alkyl porphyrin derivatives bearing terpyridylphenyl substituents at the meso-position and propionate side chains at the beta-positions. Rhenium(I) carbonyl ion was encapsulated not in the core but in the external terpyridyl ligand. Such porphyrin-terpyridine hybrid porphyrins can be potentially available for less-invasive imaging like SPECT. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.132

文献信息

• Fabrications of potential imaging probes based on a β-alkyl substituted porphyrin with a terpyridine external coordination site
  作者：Masaaki Suzuki、Tomoya Uehara、Yasushi Arano、Tyuji Hoshino、Saburo Neya

  DOI：10.1016/j.tetlet.2011.10.132

  日期：2011.12

  We report synthesis and coordination properties of beta-alkyl porphyrin derivatives bearing terpyridylphenyl substituents at the meso-position and propionate side chains at the beta-positions. Rhenium(I) carbonyl ion was encapsulated not in the core but in the external terpyridyl ligand. Such porphyrin-terpyridine hybrid porphyrins can be potentially available for less-invasive imaging like SPECT. (C) 2011 Elsevier Ltd. All rights reserved.