tert-butyl 4-butyl-5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate | 311815-94-8

• 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 4-butyl-5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
• CAS: 311815-94-8
• 化学式: C₂₂H₃₂N₂O₃
• 分子量: 372.508
• InChiKey: ASTICPZZNURFQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-butyl-5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate 在 硫酸 作用下， 反应 18.0h， 生成
  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：

  3,4-dimethyl-pyrrole-2-carboxylic acid benzyl ester 在 palladium on activated charcoal Montmorillonite K₁₀ clay 、 硫酸 、 氢气 、 potassium carbonate 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 tert-butyl 4-butyl-5-[(5-formyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-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.