methyl 3-[5-[[5-[[5-[[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]propanoate | 1027231-69-1

• 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: methyl 3-[5-[[5-[[5-[[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]propanoate
• CAS: 1027231-69-1
• 化学式: C₄₉H₆₄N₄O₁₇
• 分子量: 981.064
• InChiKey: ZWPJSPLIPUHQIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  70
• 可旋转键数：
  35
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  283
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  methyl 3-[5-[[5-[[5-[[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]propanoate 在 montmorillonite clay 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 3-[7,12,17-Tris-(2-carboxy-ethyl)-3,8,13,18-tetrakis-carboxymethyl-21-methyl-porphyrinogen-2-yl]-propionic acid
  参考文献：
  名称：

  Use of Montmorillonite clay for the synthesis of linear tetrapyrroles and their cyclization to Uroporphyrinogens

  摘要：

  Linear tetrapyrroles, such as the formylbilane (1), were obtained by condensation of alpha-hydroxymethyldipyrromethanes with alpha-free dipyrromethanes using Montmorillonite clay as acid catalyst. After reduction of the formyl group, hydroxymethylbilanes were cyclized to Uroporphyrinogens in presence of the clay.

  DOI：

  10.1016/s0040-4039(00)60710-4
• 作为产物：
  描述：

  5'-formyl-4,3'-di-(2-methoxycarbonylethyl)-3,4'-bismethoxycarbonylmethyl-2,2'-methylenedipyrrole 在 sodium tetrahydroborate 、 montmorillonite clay 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 methyl 3-[5-[[5-[[5-[[5-(hydroxymethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-methylpyrrol-3-yl]propanoate
  参考文献：
  名称：

  Use of Montmorillonite clay for the synthesis of linear tetrapyrroles and their cyclization to Uroporphyrinogens

  摘要：

  Linear tetrapyrroles, such as the formylbilane (1), were obtained by condensation of alpha-hydroxymethyldipyrromethanes with alpha-free dipyrromethanes using Montmorillonite clay as acid catalyst. After reduction of the formyl group, hydroxymethylbilanes were cyclized to Uroporphyrinogens in presence of the clay.

  DOI：

  10.1016/s0040-4039(00)60710-4