tert-butyl 5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate | 311815-91-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tert-butyl 5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
• CAS: 311815-91-5
• 化学式: C₂₃H₃₂N₂O₅
• 分子量: 416.517
• InChiKey: LHHLSHMFJGDYTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以100%的产率得到4-(2-Carboxy-ethyl)-5-(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  The polymer-supported MacDonald-type porphyrin synthesis: coupling of two dissimilar dipyrromethanes

  摘要：

  Syntheses of two completely unsymmetrical porphyrins have been achieved by MacDonald-type condensations of polymer-bound 9-formyldipyrromethanes with dissimilar solution-phase dipyrromethanes. The chemoselectivity of the process depends on the nature of the substituents at the a positions of the substrates. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01269-7
• 作为产物：
  描述：

  benzyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate 在 palladium on activated charcoal Montmorillonite K₁₀ clay 、 氢气 、 potassium carbonate 、 对甲苯磺酸 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-butyl 5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  The polymer-supported MacDonald-type porphyrin synthesis: coupling of two dissimilar dipyrromethanes

  摘要：

  Syntheses of two completely unsymmetrical porphyrins have been achieved by MacDonald-type condensations of polymer-bound 9-formyldipyrromethanes with dissimilar solution-phase dipyrromethanes. The chemoselectivity of the process depends on the nature of the substituents at the a positions of the substrates. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01269-7

文献信息

• The polymer-supported MacDonald-type porphyrin synthesis: coupling of two dissimilar dipyrromethanes
  作者：John M Montierth、Alejandro G Duran、Sam H Leung、Kevin M Smith、Neil E Schore

  DOI：10.1016/s0040-4039(00)01269-7

  日期：2000.9

  Syntheses of two completely unsymmetrical porphyrins have been achieved by MacDonald-type condensations of polymer-bound 9-formyldipyrromethanes with dissimilar solution-phase dipyrromethanes. The chemoselectivity of the process depends on the nature of the substituents at the a positions of the substrates. (C) 2000 Elsevier Science Ltd. All rights reserved.