5-(ferrocenylmethyl-carbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester | 566915-24-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(ferrocenylmethyl-carbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester
• 英文别名: cyclopenta-1,3-diene;iron(2+);methyl 5-(cyclopenta-1,3-dien-1-ylmethylcarbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylate
• CAS: 566915-24-0
• 化学式: C₃₀H₂₆FeN₂O₃
• 分子量: 518.395
• InChiKey: NRGYMLBYTGYCMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(ferrocenylmethyl-carbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester 、 水 、 potassium hydroxide 在 HCl 作用下， 以 甲醇 、 水 为溶剂， 以48%的产率得到5-(ferrocenylmethyl-carbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylic acid*0.56(dichloromethane)
  参考文献：
  名称：

  Mono- and bis-ferrocene 2,5-diamidopyrrole clefts: solid-state assembly, anion binding and electrochemical properties

  摘要：

  Four amido-pyrrole cleft anion receptors bearing one or two ferrocene reporter groups have been synthesised and crystallographically characterised. The receptors contain either a non-conjugated (1 and 3) or conjugated (2 and 4) link between the anion binding amido-pyrrole unit and the ferrocene reporter groups. The anion binding affinities and electrochemical behaviour of the receptors in the absence and presence of anions have been studied by H-1 NMR titration techniques and cyclic voltammetry using a Pt microdisc working electrode, respectively. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01401-8
• 作为产物：
  描述：

  (aminomethyl)ferrocene 、 3,4-diphenyl-1H-pyrrole-2,5-dicarboxylic acid monomethyl ester 在 bezotriazol-1-yloxytripyrrolidinophosphonium PF₆ 、 1-hydroxybenzotriazole hydrate (catalyst) 、 triethyl amine 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以69%的产率得到5-(ferrocenylmethyl-carbamoyl)-3,4-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Mono- and bis-ferrocene 2,5-diamidopyrrole clefts: solid-state assembly, anion binding and electrochemical properties

  摘要：

  Four amido-pyrrole cleft anion receptors bearing one or two ferrocene reporter groups have been synthesised and crystallographically characterised. The receptors contain either a non-conjugated (1 and 3) or conjugated (2 and 4) link between the anion binding amido-pyrrole unit and the ferrocene reporter groups. The anion binding affinities and electrochemical behaviour of the receptors in the absence and presence of anions have been studied by H-1 NMR titration techniques and cyclic voltammetry using a Pt microdisc working electrode, respectively. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01401-8